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1.
  • Abbasi, Alireza, et al. (author)
  • N,N '-bis(2,6-dichlorobenzyl)ethylene-diimine
  • 2007
  • In: Acta Crystallographica Section E. - 1600-5368. ; 63, s. o3773-U2712
  • Journal article (peer-reviewed)abstract
    • In the centrosymmetric title compound, C16H12Cl4N2, the asymmetric unit is one half-molecule. Weak van der Waals interactions between the molecules are effective in the molecular packing. This is the first reported structure of a chloro-substituted benzaldehyde derivative that can potentially form a tetradentate ligand.
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2.
  • Abdel-Magied, Ahmed, et al. (author)
  • [(mu)-Bis(diphenylphosphanyl-kappa P)methane]decacarbonyltri-(mu)-hydrido-trirhenium(I)(3 Re-Re) dichloromethane solvate
  • 2011
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 67:12, s. 1601-1816
  • Journal article (peer-reviewed)abstract
    • In the title compound, [Re(3)(mu-H)(3)(C(25)H(22)P(2))(CO)(10)]center dot CH(2)Cl(2), the three Re atoms form a triangle bearing ten terminal carbonyl groups and three edge-bridging hydrides. The bis(diphenylphosphanyl) methane ligand bridges two Re atoms. Neglecting the Re-Re interactions, each Re atom is in a slightly distorted octahedral coordination environment. The dichloromethane solvent molecule is disordered over two sets of sites with fixed occupancies of 0.6 and 0.4.
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3.
  • Aberg, V., et al. (author)
  • Synthesis and absolute configuration of methyl(-)-(3R)-8-(4-bromophenyl)-7-(naphthalen-1-yl-methyl)-5-oxo-2,3-dihydro-5H-thiazolo 3,2-a pyridine-3-carboxylate
  • 2002
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 58, s. o812-o814
  • Journal article (peer-reviewed)abstract
    • The title molecule, C26H20BrNO3S, contains a ring-fused 2-pyridinone framework substituted with a 4-bromo-phenyl-, a naphthalen-1-ylmethyl and a methoxycarbonyl substituent. The main goal of this work was to confirm the stereochemistry for the methoxycarbonyl substituent, which proved to be 3R. Moreover, the 4-bromophenyl substituent was shown to be rotated out of the plane of the 2-pyridinone ring, with a torsion angle of 61.2 (5)degrees. To allow the best packing arrangement, the naphthalen-1-ylmethyl substituent is positioned to mediate an intermolecular pi-pi interaction.
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4.
  • Alam, Samina, et al. (author)
  • cis-(9S,10S)-Methyl 1-propyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
  • 2008
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 64, s. O361-U1624
  • Journal article (peer-reviewed)abstract
    • The title compound, C16H20N2O2, was synthesized from ( S)tryptophan methyl ester hydrochloride and butyraldehyde. The absolute configuration 9S, 10S was assigned on the basis of the unchanging chirality of the C9 centre. The NH group of the indole ring is involved in intermolecular N-H center dot center dot center dot O hydrogen bonding, while the NH group of the six-membered ring is not. This latter ring has a half-chair conformation.
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5.
  • Alam, Samina, et al. (author)
  • Methyl 2-(2-hydroxyacetamido)benzoate
  • 2010
  • In: Acta Crystallographica Section E. - 1600-5368. ; 66, s. O913-U2993
  • Journal article (peer-reviewed)abstract
    • The title compound, C10H11NO4, was formed from 4,1-benzoxazepine-2,5(1H,3H)-dione and ammonia gas. Intramolecular hydrogen bonding is present between the amide N-H group and the carbonyl O atom of the ester group. The crystal structure features intermolecular O-H center dot center dot center dot O hydrogen bonds.
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6.
  • Alam, Samina, et al. (author)
  • trans-(1R,3S)-methyl 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. O871-O872
  • Journal article (peer-reviewed)abstract
    • The title compound, C14H16N2O2, was obtained from the reaction between S-tryptophan methyl ester hydrochloride and acetaldehyde. The molecule adopts a trans configuration, with the methyl and methoxycarbonyl groups located on opposite sides of the central tetrahydro-beta-carboline unit. Bifurcated intermolecular N-H...O/N hydrogen bonds link the molecules into chains.
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7.
  • Ali, Sharafat, 1976-, et al. (author)
  • A cubic calcium oxynitrido-silicate, Ca2.89Si2N1.76O4.24
  • 2011
  • In: Acta Crystallographica Section E. - 1600-5368. ; 67
  • Journal article (peer-reviewed)abstract
    • The title compound, tricalcium oxynitride silicate, withcomposition Ca3-xSi2N2-2xO4+2x (x ’ 0.12), is a perovskiterelatedcalcium oxynitrido silicate containing isolated oxynitridosilicate 12-rings. The N atoms are statistically disorderedwith O atoms (occupancy ratio N:O = 0.88:0.12) and occupythe bridging positions in the 12 ring oxynitrido silicate anion,while the remaining O atoms are located at the terminalpositions of the Si(O,N)4 tetrahedra. The majority of the Ca2+cations fill the channels along [100] in the packing of the 12-ring anions. The rest of these cations are located at severalpositions, with partial occupancy, in channels along the bodydiagonals.
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8.
  • Andersson, Pierre, et al. (author)
  • The furanosteroid viridiol
  • 2013
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E69, s. o467-o468
  • Journal article (peer-reviewed)abstract
    • The asymmetric unit of the title compound, C20H18O6 (systematic name: 1,3-dihydroxy-2-methoxyfuro[4',3',2':4,5,6]-18-norandrosta-8,11,13-triene-7,17-dione), a dihydro derivative of the fungal steroid viridin, contains two molecules with similar conformations. The rings bearing the hydroxy groups adopt boat conformations. The absolute structure was assigned based on the known chirality of a precursor compound. In the crystal, molecules are linked by O-HO hydrogen bonds, generating a three-dimensional network and weak C-HO interactions consolidate the packing.
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9.
  • Banenzoue, Charles, et al. (author)
  • Non-isovalent substitution in a Zintl phase with the TiNiSi type structure, CaMg1-xAgxGe [x=0.13 (3)]
  • 2009
  • In: Acta Crystallographica Section E. - 1600-5368. ; 65, s. i90-U56
  • Journal article (peer-reviewed)abstract
    • Single crystals of the title Ag-substituted calcium magnesium germanide, CaMg1-xAgxGe [x = 0.13 (3)] were obtained from the reaction of the corresponding elements at high temperature. The compound crystallizes with the TiNiSi structure type (Pearson code oP12) and represents an Ag-substituted derivative of the Zintl phase CaMgGe in which a small fraction of the divalent Mg atoms have been replaced by monovalent Ag atoms. All three atoms in the asymmetric unit (Ca, Mg/Ag, Ge) occupy special positions with the same site symmetry (.m.). Although the end member CaAgGe has been reported in an isomorphic superstructure of the same TiNiSi type, higher Ag content in solid solutions could not be achieved due to competitive formation of other, perhaps more stable, phases.
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10.
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11.
  • Berggren, Gustav, et al. (author)
  • Tetraethylammonium [12,12-diethyl-2,2,9,9-tetramethyl-1,4,7,10-tetraza-5,6-benzotridecane-3 ,8,11,13-tetraone(4-)]oxidomanganate(V)
  • 2007
  • In: Acta Crystallographica Section E. - 1600-5368. ; 63:11, s. M2672-M2673
  • Journal article (peer-reviewed)abstract
    • The Mn-V complex in the title compound, (C8H20N)[ Mn(C21H26N4O4)O], is interesting as it has been suggested that Mn-V oxospecies are intermediates both in epoxidation of alkenes and in water oxidation in PSII, i.e. photosystem II, the protein found in oxygenic photosynthetic organisms, which uses light to split water into O-2, protons and electrons. The Mn atom has a square-pyramidal coordination of four N atoms with an apical O atom. The four N atoms coordinating to Mn [Mn-N = 1.872 (2)-1.882 (2) angstrom] form a plane within 0.03 (3) angstrom from which the Mn ion is displaced by 0.582 (2) angstrom.
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12.
  • Besnard, Céline, et al. (author)
  • Diquino[3,4-b;4 ',3 '-e][1,4] dithiine
  • 2006
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 62:4, s. 1333-1335
  • Journal article (peer-reviewed)abstract
    • In the title compound, C18H10N2S2, a crystallographic mirror plane passes through the two S atoms. The pentacyclic ring system is folded along the S-S vector and the central dithiine ring adopts a boat conformation.
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13.
  • Besnard, Céline, et al. (author)
  • Diquino[4,3-b;3 ',4 '-e][1,4]thiaselenine
  • 2006
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 62:8, s. 3203-3205
  • Journal article (peer-reviewed)abstract
    • The title compound, C18H10N2SSe, is a pentacyclic ring system folded along the S center dot center dot center dot Se vector. The central thiaselenine ring adopts a boat conformation and the two halves of the molecule are related by a crystallographic mirror plane.
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14.
  • Bih, H., et al. (author)
  • Pentaammonium heptasodium [bis(μ5-phosphato) pentakis (μ2-oxido)-decaoxidopentamolybdenum(VI)] henicosahydrate
  • 2010
  • In: Acta Crystallographica Section E. - 1600-5368. ; E66, s. 20-21
  • Journal article (peer-reviewed)abstract
    • The title compound, (NH4)(5)Na-7[Mo5P2O23](2)center dot 21H(2)O, was prepared under atmospheric conditions in aqueous solution at room temperature. The structure contains the [Mo5P2O23](6-) heteropolyoxometallate anion, which has been previously reported a number of times with a variety of differing countercations. Each anion is built up of five MoO6 octahedra sharing an edge and forming a ring which is closed by common corners of the terminal octahedra. The rings are closed on both sides by two asymmetric PO4 tetrahedra, sharing three corners with three MoO6 octahedra. The anions are chiral and the two independent anions in the asymmetric unit were arbitarily chosen with the same chirality, but the centrosymmetric crystal contains both enantiomers. The structure can alternatively be described as a succession of layers parallel to (101), formed by the [Mo5P2O23](6-) anions and linked by sodium chains. Water molecules and ammonium ions fill the remaining space and ensure the cohesion through extensive N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonding.
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15.
  • Borel, Cédric, 1979, et al. (author)
  • 5,6-Dioxo-1,10-phenanthrolin-1-ium chloride
  • 2008
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 64:1, s. O34-U2794
  • Journal article (peer-reviewed)
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16.
  • Borel, Cédric, 1979, et al. (author)
  • catena-Poly[[bis(N,N'-dimethylformamide)cadmium(II)]-μ2-oxalato]
  • 2008
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E64:1, s. m185-
  • Journal article (peer-reviewed)abstract
    • The title compound, [Cd(C2O4)(C3H7NO)2]n, is isostructural with its MnII analogue. The structure comprises zigzag polymeric chains with the oxalate groups situated on inversion centres and the CdII atoms located on twofold rotation axes.The coordination geometry around CdII is distorted octahedral and the intrachain Cd...Cd distance is 5.842(1) Å. C—H...O hydrogen bonds exist between the parallel polymeric chains.
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17.
  • Boström, Dan, et al. (author)
  • Hexakis(dimethyl sulfoxide-kappa O)aluminium(III) trichloride
  • 2003
  • In: Acta Crystallographica Section E. - 1600-5368. ; 59, s. M934-M935
  • Journal article (peer-reviewed)abstract
    • The title compound, [Al{(CH3)(2)SO}(6)]Cl-3, crystallizes in the trigonal space group R(3) over bar. In this structure, the O atoms of six dimethyl sulfoxide (DMSO) molecules are bonded to the Al3+ ion in the form of a trigonally distorted octahedron. The Al3+ ion is situated at special site 3b (symmetry (3) over bar), while the Cl- ions are situated at special sites 3a and 6c (symmetries (3) over bar and 3). Considering only the Al3+ ions separately, they are arranged in a slightly distorted cubic close-packed arrangement. In this crystal structure, the Cl- ions occupy both the tetrahedral sites and the octahedral sites, giving a Cl-:Al3+ ratio of 3:1. This geometric condition results in a distorted rhombododecahedral arrangement of Cl- ions around the Al3+ ions.
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18.
  • Boström, Dan, et al. (author)
  • Hexakis(dimethyl sulfoxide-KO)aluminium(III) trichloride
  • 2003
  • In: Acta Crystallographica Section E. - : International Union of Crystallography. - 1600-5368. ; 59:10, s. m934-m935
  • Journal article (peer-reviewed)abstract
    • The title compound, [Al{(CH3)2SO}6]Cl3, crystallizes in the trigonal space group R. In this structure, the O atoms of six dimethyl sulfoxide (DMSO) molecules are bonded to the Al3+ ion in the form of a trigonally distorted octahedron. The Al3+ ion is situated at special site 3b (symmetry ), while the Cl- ions are situated at special sites 3a and 6c (symmetries and 3). Considering only the Al3+ ions separately, they are arranged in a slightly distorted cubic close-packed arrangement. In this crystal structure, the Cl- ions occupy both the tetrahedral sites and the octahedral sites, giving a Cl-:Al3+ ratio of 3:1. This geometric condition results in a distorted rhombododecahedral arrangement of Cl- ions around the Al3+ ions.
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19.
  • Boström, Dan, et al. (author)
  • Sodium trirubidium metavanadate monohydrate
  • 2003
  • In: Acta Crystallographica Section E. - : International Union of Crystallography. - 1600-5368. ; E59:11, s. i151-i153
  • Journal article (peer-reviewed)abstract
    • The title compound, sodium trirubidium metavanadate monohydrate, NaRb3(VO3)4(H2O), crystallizes in the orthorhombic space group Pnma. The structure, which represents a rare type of catena-vanadate, is built up of strongly folded chains of corner-sharing [VO4] tetrahedra, running in the [010] direction with a periodicity of four. A three-dimensional framework is obtained by sodium ions linking adjacent chains in the [001] direction and by rubidium ions linking adjacent chains in the [100] direction. The single water molecule binds to the sodium ion and to two rubidium ions.
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20.
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21.
  • Cantillana, T, et al. (author)
  • (2S)-1,1-dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane
  • 2009
  • In: Acta Crystallographica Section E. - 1600-5368. ; 65(Pt 1), s. m9-m10
  • Journal article (other academic/artistic)abstract
    • In the mol­ecule of the title compound, [HgCl2(C10H9N3)], the HgII atom is four-coordinated in a distorted tetra­hedral configuration by two N atoms from the chelating di-2-pyridylamine ligand and by two Cl atoms. In the crystal structure, inter­molecular N—HCl hydrogen bonds link the mol­ecules into centrosymmetric dimers. There is a π–π contact between the pyridine rings [centroid–centroid distance = 3.896 (5) Å].
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22.
  • Cantillana, Tatiana, et al. (author)
  • (2S)-1,1-Dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane
  • 2009
  • In: Acta Crystallographica Section E. - 1600-5368. ; 65, s. OO297-U1934
  • Journal article (peer-reviewed)abstract
    • The title compound, C14H10Cl4, is easily crystallized while the other enantiomorph only forms an oil upon crystallization attempts. The title compound has a considerably higher density, rho similar or equal to 1.562 Mg m(-3) compared to the racemic substance, rho similar or equal to 1.514 Mg m(-3). This is supported by the fact there are two intermolecular halogen-halogen contacts in the title compound compared with only one the racemic compound. The dihedral angle between the two phenyl rings is 76.83 (5)degrees
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23.
  • Casari, Barbara, et al. (author)
  • A redetermination of cis-aquabis(glycinato-κ2N,O)copper(II)
  • 2004
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E60:12, s. m1949-m1951
  • Journal article (peer-reviewed)abstract
    • The crystal structure of the title compound, [Cu(C2H4NO2)2(H2O)], reported by Freeman et al. [(1964). Acta Cryst. 17, 1463-1470], has been reinvestigated and its absolute configuration established by anomalous dispersion effects. The origin of chirality in the crystalline state of this compound is the formation of right-handed helices from a CuII coordination network self-resolved into a pure enantiomeric phase.
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24.
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25.
  • Das, Biswanath, et al. (author)
  • (μ-Acetato-κ(2) O:O')[μ-2,6-bis-({bis-[(pyri-din-2-yl-κN)meth-yl]amino-κN}meth-yl)-4-methyl-phenolato-κ(2) O:O](metha-nol-κO)dizinc bis-(perchlorate).
  • 2014
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 70:Pt 4, s. 120-121
  • Journal article (peer-reviewed)abstract
    • The binuclear title complex, [Zn2(C33H33N6O)(CH3COO2)(CH3OH)](ClO4)2, was synthesized by the reaction between 2,6-bis-({[bis-(pyridin-2-yl)meth-yl]amino}-meth-yl)-4-methyl-phenol (H-BPMP), Zn(OAc)2 and NaClO4. The two Zn(II) ions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the Zn(II) ions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two Zn(II) ions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal), is unique. The dizinc complex is a dication, and two perchlorate anions balance the charge. The -OH group of the coordinating methanol solvent mol-ecule forms a hydrogen bond with a perchlorate counter-anion. One of the anions is disordered over two sets of sites with an occupancy ratio of 0.734 (2):0.266 (2).
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26.
  • Dey, Raja, 1963, et al. (author)
  • 21-Acetoxy-17α-4-pregnene-3,20-dione
  • 2005
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 61:4
  • Journal article (peer-reviewed)abstract
    • The synthetic steroid 21-acetoxy-17α-4-pregnene-3,20-dione, C 23H32O4, crystallizes with a single molecule in the asymmetric unit. The molecule contains four fused rings, typical of steroids. The cyclohexene ring A has nearly the conformation of a boat. One saturated six-membered ring, B, is intermediate between chair and half-chair conformations, while the other six-membered ring, C, is essentially a chair. The five-membered ring D tends towards a twist conformation. The ring junction A/B is quasi-trans, whereas the ring junctions B/C and C/D are both trans. The molecule is slightly convex towards the β side.
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27.
  • Dey, Raja, 1963, et al. (author)
  • 5-Amino-1-[2-(diethylamino)ethyl]-1H-imidazole-4-carboxamide
  • 2006
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E62:2, s. o814-o816
  • Journal article (peer-reviewed)abstract
    • Intramolecular hydrogen bonds influence the molecular conformation of the title compound, C10H19N5O, resulting in an extended planar hydrogen-bonded heterocyclic ring structure. The bulky diethylaminoethyl group adopts a butterfly conformation. The stabilization of the crystal structure is supported by an extensive network of intermolecular hydrogen bonds.
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28.
  • Dey, Raja, 1963, et al. (author)
  • 5-Amino-1-benzyl-4-cyano-3-methylimidazolium toluene-p-sulfonate
  • 2005
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E61:12, s. o4039-o4041
  • Journal article (peer-reviewed)abstract
    • The title compound, C12H13N4+·C7H7O3S-, contains an imidazolium cation and a toluene-p-sulfonate anion in the asymmetric unit. Hydrogen-bonded dimers are formed between the cyano and amino groups of inversion-related imidazolium cations.
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29.
  • Dey, Raja, 1963, et al. (author)
  • A titanium salicylate, Na4[Ti(C7H4O3)3]2·11H2O
  • 2005
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E61:8, s. m1495-m1497
  • Journal article (peer-reviewed)abstract
    • The title compound, tetrasodium bis[tris(salicylatotitanate(IV)] undecahydrate, Na4[Ti(C7H4O3)3]2·11H2O, crystallizes with two titanium salicylate complex ions, four sodium ions and 11 water molecules in the asymmetric unit. One water O atom is disordered over two positions, having 0.74(5) and 0.26(5) occupancy. Both Ti atoms and three sodium ions adopt a distorted octahedral coordination by O atoms. The fourth sodium ion has a distorted trigonal-bipyramidal coordination by oxygen, sharing one edge with a sodium coordination octahedron.
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30.
  • Diaz, Jesus Garcia, et al. (author)
  • Bis(cyanamidonitrato-κN)[tris(3,5-dimethylpyrazole)copper(II)
  • 2003
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E59:5, s. m241-m243
  • Journal article (peer-reviewed)abstract
    • The title compound, [Cu(CN3O2)2(C5H8N2)3], is the first example of a pentacoordinated 3d-central atom involving the cyanamidonitrate ligand. The crystal structure is formed by neutral molecues stabilized by a three-dimensional network consisting of one intramolecular and three intermolecular hydrogen bonds. The Cu atom is pentacoordinated by three N-donor atoms from 3,5-dimethylpyrazole neutral ligands and two N-donor atoms from cyanamidonitrate anions.
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31.
  • Diesen, Veronica, et al. (author)
  • A hydrogen sulfate salt of chlordiazepoxide
  • 2012
  • In: Acta Crystallographica Section E. - 1600-5368. ; 68:7, s. o2091-o2092
  • Journal article (peer-reviewed)abstract
    • Crystals of the hydrogen sulfate salt of chlordiazepoxide (systematic name: 7-chloro-Nmethyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-iminium 4-oxide hydrogen sulfate), C 16H 15ClN 3O +·HSO 4 -, were obtained from a solution of chlordiazepoxide and sulfuric acid in methanol. The structure features chlordiazepoxide molecules that are protonated at the imine N atom. The seven-membered ring adopts a boat conformation with the CH 2 group as the prow and the two aryl C atoms as the stern. The dihedral angle between the benzene rings is 72.41 (6)°. In the crystal, the HSO 4 - anion acts as a bridging group between two chlordiazepoxide cations. The H atom of the protonated imino N forms an N - H⋯O hydrogen bond with a hydrogen sulfate ion. The anion in turn forms two hydrogen bonds, O - H⋯O with the anion as donor and N - H⋯O with the anion as acceptor, to generate an R 2 2(10) loop. Each HSO 4 - anion connects two chlordiazepoxide moieties of the same chirality.
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32.
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33.
  • Eriksson, Annika, 1975, et al. (author)
  • Pentapotassium sodium hexasulfatodicerate(III)
  • 2003
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E59:11, s. i149-i150
  • Journal article (peer-reviewed)abstract
    • K5Na[Ce2(SO4)6] contains two CeIII ions, cross-linked via two oxygen and four sulfate bridges, a unique configuration for cerium sulfates. Each cerium is (8 + 2)-coordinated by O atoms of four sulfate groups by bidentate linkages.
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34.
  • Eriksson, Annika, et al. (author)
  • Tetramethylammonium tetraaquadichlorochromium(III) trichloride dihydrate
  • 2004
  • In: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E60:7, s. m930-m932
  • Journal article (peer-reviewed)abstract
    • The title metal-organic octahedral chromium compound, (C4H12N)2[CrCl2(H2O)4]Cl3·2H2O, was synthesized according to the Palmer method. The chromium complex ion possesses mirror symmetry and has two axial Cl- ions and four equatorial water molecules. The octahedral complex cation and tetramethyl ammonium tetrahedra pack in a 'parquet'-style pattern, with Cl- ions and water molecules in between the 'bricks'. The structure is compared with aquapentachlorochromate(III) complexes in the literature.
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35.
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36.
  • Eriksson, Lars, et al. (author)
  • Methyl 3-O-alpha-L-fucopyranosyl alpha-D-galactopyranoside : a synchrotron study
  • 2012
  • In: Acta Crystallographica Section E. - 1600-5368. ; 68, s. o528-U1770
  • Journal article (peer-reviewed)abstract
    • The title compound, C13H24O10 is the methyl glycoside of a structural element alpha-L-Fucp-(1 -> 3)-alpha-D-Galp making up two thirds of the repeating unit in the capsular polysaccharide of Klebsiella K63. The conformation of the title compound is described by the glycosidic torsion angles phi(H) = 55 (1)degrees and psi H = -24 (1)degrees. The hydroxymethyl group in the galactose residue is present in the gauche-trans conformation. In the crystal, O-H center dot center dot center dot O hydrogen bonds connect the disaccharide units into chains along the a-axis direction and further hydrogen bonds cross-link the chains.
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37.
  • Eriksson, Lars, et al. (author)
  • Methyl 3-O-α-l-fucopyranosyl β-d-glucopyranoside tetrahydrate
  • 2012
  • In: Acta Crystallographica Section E. - 1600-5368. ; 68, s. o3180-o3181
  • Journal article (peer-reviewed)abstract
    • The title compound, C13H24O10·4H2O, is the methyl glycoside of a disaccharide structural element present in the backbone of the capsular polysaccharide from Klebsiella K1, which contains only three sugars and a substituent in the polysaccharide repeating unit. The conformation of the title disaccharide is described by the glycosidic torsion angles ϕH = 51.1 (1)° and ψH = 25.8 (1)°. In the crystal, a number of O—HO hydrogen bonds link the methyl glycoside and water mol­ecules, forming a three-dimensional network. One water mol­ecule is disordered over two positions with occupancies of 0.748 (4) and 0.252 (4).
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38.
  • Eriksson, Lars, et al. (author)
  • Methyl α-l-rhamnosyl-(1→2)[α-l-rhamnosyl-(1→3)]-α-l-rhamnoside penta­hydrate: synchrotron study
  • 2012
  • In: Acta Crystallographica Section E. - 1600-5368. ; 68:7, s. o2221-o2222
  • Journal article (peer-reviewed)abstract
    • The title hydrate, C19H34O13·5H2O, contains a vicinally disubstituted tris­accharide in which the two terminal rhamnosyl sugar groups are positioned adjacent to each other. The conformation of the tris­accharide is described by the glycosidic torsion angles ϕ2 = 48 (1)°, ψ2 = −29 (1)°, ϕ3 = 44 (1)° and ψ3 = 4 (1)°, whereas the ψ2 torsion angle represents a conformation from the major state in solution, the ψ3 torsion angle conformation may have been caught near a potential energy saddle-point when compared to its solution structure, in which at least two but probably three conformational states are populated. Extensive inter­molecular O—HO hydrogen bonding is present in the crystal and a water-containing channel is formed along the b-axis direction.
  •  
39.
  • Eriksson, L, et al. (author)
  • Mn1-xFexS, x similar or equal to 0.05, an example of an anti-wurtzite structure
  • 2001
  • In: Acta Crystallographica Section E. - : MUNKSGAARD INT PUBL LTD. - 1600-5368. ; 57, s. I92-I93
  • Journal article (peer-reviewed)abstract
    • The mineral rambergite, hexagonal manganese sulfide, is found to crystallize in the inverse wurtzite structure, i.e. the wurtzite type structure but with the opposite absolute configuration, which can also be named anti-wurtzite. Rambergite was first foun
  •  
40.
  • Eriksson, M., et al. (author)
  • 2R, 3S)-2,3-dibromosuccinic acid
  • 2006
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 62, s. O200-O201
  • Journal article (peer-reviewed)abstract
    • Crystals of the title compound, C4H4Br2O4, were grown from an aqueous solution. The structure features centrosymmetric molecules, each of which forms hydrogen bonds with two adjacent acid molecules, yielding long chains.
  •  
41.
  • Fischer, Andreas, et al. (author)
  • 1-(4-Methoxyphenyl)-5-phenylpenta-2,4-dien-1-one
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. O3540-U3779
  • Journal article (peer-reviewed)abstract
    • The title compound, C18H16O2, was prepared using literature procedures and crystallized from an acetone-toluene solution (50:50 v/v). The dihedral angle between the two aromatic rings is 9.28 (8) angstrom. The crystal packing is stabilized by van der Waals forces.
  •  
42.
  • Fischer, Andreas, et al. (author)
  • 1-(4-Methylphenyl)-5-phenylpenta-2,4dien-1-one
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. O2832-U2003
  • Journal article (peer-reviewed)abstract
    • The title compound, C18H16O, features two conjugate double bonds, both in E conformations. The molecule is essentially planar: the dihedral angle between the two phenyl groups is 9.4 ( 1)degrees.
  •  
43.
  • Fischer, Andreas (author)
  • 2-bromofumaric acid
  • 2006
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 62, s. O4190-O4191
  • Journal article (peer-reviewed)abstract
    • Single crystals of 2-bromofumaric acid, C4H3BrO4, were obtained from an aqueous solution of racemic 2,3-dibromosuccinic acid and (-)-quinine. The title compound crystallizes with two molecules in the asymmetric unit. The structure is stabilized by O - H center dot center dot center dot O hydrogen bonds forming alternating chains.
  •  
44.
  • Fischer, Andreas (author)
  • 2-Bromomaleic acid
  • 2009
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 65, s. O2240-U2786
  • Journal article (peer-reviewed)abstract
    • The title compound, C4H3BrO4, was obtained from a solution of meso-2,3-dibromosuccinic acid and vanadium(IV) oxide. The crystals are isostructural with chloromaleic acid and the molecule has two geometrically different carboxyl groups, one of which has delocalized C-O bonds and is essentially coplanar with the olefinic bond plane [give dihedral angle 15.08 (16)degrees], whereas the other has a localized C=O bond and forms a dihedral angle of 99.6 (3)degrees with the C C bond plane. Two symmetry-independent O-H center dot center dot center dot O hydrogen bonds link the molecules into layers parallel to the bc plane.
  •  
45.
  • Fischer, Andreas, et al. (author)
  • (2E)-3-(biphenyl-4-yl)-1-(2,4-dichlorophenyl)-prop-2-en-1-one
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. o1351-o1352
  • Journal article (peer-reviewed)abstract
    • The title compound, C21H14Cl2O, was prepared from biphenyl-4-carbaldehyde and 2,4-dichloroacetophenone. Single crystals were obtained from acetone. The compound crystallizes with four molecules in the asymmetric unit, all of which deviate significantly from planarity.
  •  
46.
  • Fischer, Andreas, et al. (author)
  • (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)-prop-2-en-1-one
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. o1355-o1356
  • Journal article (peer-reviewed)abstract
    • The title compound, C21H15BrO, was obtained from 4-bromoacetophenone and biphenyl-4-carbaldehyde. The geometry of the molecule is unexceptional. The compound crystallizes isostructurally with the corresponding chloro compound.
  •  
47.
  • Fischer, Andreas, et al. (author)
  • (2E)-3-(biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. o1353-o1354
  • Journal article (peer-reviewed)abstract
    • The title compound, C21H15ClO, was prepared from biphenyl-4-carbaldehyde and 4-chloroacetophenone. Single crystals were obtained from acetone. The compound is isostructural with the corresponding Br compound. The molecule deviates significantly from planarity.
  •  
48.
  • Fischer, Andreas, et al. (author)
  • (2E)-3-(biphenyl-4-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. o1349-o1350
  • Journal article (peer-reviewed)abstract
    • The title compound, C22H18O2, was prepared from biphenyl-4-carbaldehyde and 4-methoxyacetophenone. The molecule deviates significantly from planarity.
  •  
49.
  • Fischer, Andreas, et al. (author)
  • (2E)-3-(biphenyl-4-yl)-1-phenylprop-2-en-1-one
  • 2007
  • In: Acta Crystallographica Section E. - : International Union of Crystallography (IUCr). - 1600-5368. ; 63, s. o1357-o1358
  • Journal article (peer-reviewed)abstract
    • The title compound, C21H16O, was prepared from biphenyl-4-carbaldehyde and acetophenone. The molecule is essentially planar.
  •  
50.
  •  
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