| 1. |
- Ajpi, Cesario, et al.
(author)
-
Crystal structure and Hirshfeld surface analysis of poly[tris(mu(4)-benzene-1,4-dicarboxylato)tetrakis(di-methylformamide)tr inickel(II)] : a two-dimensional coordination network
- 2019
-
In: Acta Crystallographica Section E: Crystallographic Communications. - : International Union of Crystallography. - 2056-9890. ; 75, s. 1839-1843
-
Journal article (peer-reviewed)abstract
- The crystal structure of the title compound, [Ni-3(C8H4O4)(3)(C3H7NO)(4)], is a two-dimensional coordination network formed by trinuclear linear Ni-3(tp)(3)(DMF)(4) units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethyl-formamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C-H center dot center dot center dot O, H center dot center dot center dot H and H center dot center dot center dot C interactions between DMF molecules, as shown by Hirshfeld surface analysis.
|
|
| 2. |
- Ajpi, Cesario, et al.
(author)
-
Crystal structure and Hirshfeld surface analysis of poly[tris-(μ4-benzene-1,4-di-carboxyl-ato)tetra-kis-(di-methyl-formamide)-trinickel(II)] : a two-dimensional coordination network.
- 2019
-
In: Acta crystallographica. Section E, Crystallographic communications. - 2056-9890. ; 75:Pt 12, s. 1839-1843
-
Journal article (peer-reviewed)abstract
- The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-di-carboxyl-ate and DMF = di-methyl-formamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides inter-actions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF mol-ecule, which shows positional disorder. Parallel planes are connected mainly through weak C-H⋯O, H⋯H and H⋯C inter-actions between DMF mol-ecules, as shown by Hirshfeld surface analysis.
|
|
| 3. |
- Barnå, Fredrik, et al.
(author)
-
Synthesis and crystal structures of boryl ortho-silylaryl trifluoromethanesulfonates
- 2024
-
In: Acta Crystallographica Section E: Crystallographic Communications. - : International Union Of Crystallography. - 2056-9890. ; 80:2, s. 143-147
-
Journal article (peer-reviewed)abstract
- We report the synthesis and structural characterization of three crystalline borylated ortho-silylaryl trifluoromethanesulfonates: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate, C16H24BF3O5SSi (1a), 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate, C16H24BF3O5SSi (1b), and 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trimethylsilyl)phenyl trifluoromethanesulfonate, C17H26BF3O5SSi (2), which are versatile aryne precursors. For all three compounds, the heteroatom substituents are almost coplanar with the central aromatic moiety. C—heteroatom bonding metrics are unexceptional and fall withing the typical range of C—B, C—Si, and C—O single bonds. Despite numerous electronegative sites, only weak intermolecular interactions are observed in the solid state.
|
|
| 4. |
- Cattaneo, P.
(author)
-
Crystal structure of La24Ru11
- 2020
-
In: Acta Crystallographica Section E: Crystallographic Communications. - 2056-9890. ; 76, s. 1206-1208
-
Journal article (peer-reviewed)abstract
- The compound La24Ru11 (tetracosalanthanum undecaruthenium) crystallizes in a Ce24Co11-type structure. The non-centrosymmetric crystal structure (space group P63 mc) contains RuLa6 trigonal prisms, La6 octahedra and LaRu4 tetrahedra and is closely related to that of Ce23Ni7Mg4. This communication highlights the crystal-chemical similarities and points out the differences between the two structures. All of the tested crystals were inversion twins.
|
|
| 5. |
- Clulow, Rebecca, et al.
(author)
-
Syntheses and crystal structures of three novel oxalate coordination compounds : Rb2Co(C2O4) 2 similar to 4H2O, Rb2CoCl2(C2O4) and K2Li2Cu(C2O4) (3 similar to)2H(2)O
- 2023
-
In: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. - : INT UNION CRYSTALLOGRAPHY. - 2056-9890. ; 79, s. 267-171
-
Journal article (peer-reviewed)abstract
- Single crystals of three novel transition-metal oxalates, dirubidium diaquadioxalatocobalt(II) dihydrate or dirubidium cobalt(II) bis(oxalate) tetrahydrate, Rb-2[Co(C2O4) (2)(H2O)(2)]similar to 2H(2)O, (I), catena-poly[dirubidium [[ dichloridocobalt(II)]-similar to-oxalato]] or dirubidium cobalt(II) dichloride oxalate, {Rb-2[CoCl2(C2O4)]}(n), (II), and poly[dipotassium [tri-similar to-oxalato-copper(II)dilithium] dihydrate] or dipotassium dilithium copper(II) tris(oxalate) dihydrate, {K-2[Li2Cu(C2O4)(3)]similar to 2H(2)O}n, (III), have been grown under hydrothermal conditions and their crystal structures determined using single-crystal X-ray diffraction. The structure of (I) exhibits isolated octahedral [Co(C2O4)(2)(H2O) (2)] units, whereas (II) consists of trans chains of Co2+ ions bridged by bidentate oxalato ligands and (III) displays a novel tri-periodic network of Li+ and Cu2+ ions linked by oxalato bridging ligands.
|
|
| 6. |
- Eriksson, Lars, et al.
(author)
-
Crystal structure of methyl alpha-L-rhamnopyranosyl-(1 -> 2)-alpha-L-rhamnopyranoside monohydrate
- 2019
-
In: Acta Crystallographica Section E: Crystallographic Communications. - 2056-9890. ; 75, s. 854-857
-
Journal article (peer-reviewed)abstract
- The title compound, C13H24O9 center dot H2O, a structural model for part of bacterial O-antigen polysaccharides from Shigella flexneri and Escherichia coli, crystallizes with four independent disaccharide molecules and four water molecules in the asymmetric unit. The conformation at the glycosidic linkage joining the two rhamnosyl residues is described by the torsion angles phi(H) of 39, 30, 37 and 37 degrees, and psi(H) of -32, -35, -31 and -32 degrees, which are the major conformation region known to be populated in an aqueous solution. The hexopyranose rings have the C-1(4) chair conformation. In the crystal, the disaccharide and water molecules are associated through O-H center dot center dot center dot O hydrogen bonds, forming a layer parallel to the bc plane. The layers stack along the a axis via hydrophobic interactions between the methyl groups.
|
|
| 7. |
- Eriksson, M, et al.
(author)
-
(RS)-2,3-Dibromosuccinic acid (vol E62, pg o200, 2006)
- 2006
-
In: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS. - Royal Inst Technol, Sch Chem Sci & Engn, S-10044 Stockholm, Sweden. : INT UNION CRYSTALLOGRAPHY. - 2056-9890. ; 62, s. E5-E5
-
Journal article (peer-reviewed)
|
|
| 8. |
- Kondrashov, Mikhail, et al.
(author)
-
Crystal structure of (piperidine-1-carbo-di-thio-ato-κ(2) S,S)[2-(pyridin-2-yl)phenyl-κ(2) C (1),N]palladium(II).
- 2015
-
In: Acta crystallographica. Section E: Crystallographic communications. - 2056-9890. ; 71:Pt 9, s. 166-166
-
Journal article (peer-reviewed)abstract
- The title compound, [Pd(C11H8N)(C6H10NS2)], crystallizes with three similar and discrete mol-ecules in the asymmetric unit. The CNS2 donor set defines a distorted square-planar geometry around the Pd(II) atom, with very small deviations from planarity. The bidentate nature of the ligands gives fairly large deviations from the ideal 90° angles; the C-Pd-N angles are all around 81° and the S-Pd-S angles are around 75°. Mol-ecules pack via dispersion inter-actions.
|
|
| 9. |
- Lundberg, Daniel
(author)
-
Crystal structure of hexakis(dmpu)-di-μ2-hydroxido-dialuminium tetraiodide dmpu tetrasolvate [dmpu is 1,3-dimethyltetrahydropyrimidin-2(1H)-one]: a centrosymmetric dinuclear aluminium complex containing AlO5 polyhedra
- 2015
-
In: Acta Crystallographica Section E: Crystallographic Communications. - 2056-9890. ; 71, s. 895-898
-
Journal article (peer-reviewed)abstract
- The structure of the title compound, [Al2(OH)2(C6H12N2O)6]I4.4C6H12N2O (systematic name: di-2-hydroxido-bis{tris[1,3-dimethyltetrahydropyrimidin- 2(1H)-one-O]aluminium} tetraiodide 1,3-dimethyltetrahydropyrimidin-2(1H)-one tetrasolvate), is composed of two Al(C6H12N2O)3 moieties linked into a centrosymmetric dinuclear unit by a pair of bridging hydroxide ions. The aluminium cations show a distorted trigonal bipyramidal AlO5 coordination environment formed only by monodentate ligands. The Al-O bond lengths are in the range 1.789(2)-1.859(2) Å (mean bond length = 1.818 Å ). The noncoordinating iodide anions compensate the charge of the complex cation. The remaining solvent molecules and the iodide counter-anions interact with the complex cation by weak non-classical C-H...I and C-H...O hydrogen bonds.
|
|
| 10. |
- Majeed, Maitham H., et al.
(author)
-
Synthesis and crystal structure of trans-dichlorido- [3-methyl-1-(4-vinylbenzyl)-1H-imidazol-3-ium-2- yl-kC2](4-phenylpyridine-kN)palladium(II)
- 2016
-
In: Acta crystallographica. Section E: Crystallographic communications. - 2056-9890. ; 72, s. 534-537
-
Journal article (peer-reviewed)abstract
- The title compound, [PdCl2(C11H9N)(C13H14N2)], represents a new class of palladium-based polymerizable monomer which could give a potentially catalytically active polymer. It was synthesized via transmetallation from the corresponding silver complex. The PdII ion coordinates two Cl anions, one C atom from the N-heterocyclic carbene (NHC) ligand and one N atom from the 4-phenylpyridine ligand, displaying a slightly distorted square-planar geometry. The dihedral angle between the imidazole ring and the pyridine ring is 34.53 (8)-. The Pd-C bond length between the NHC ligand and the PdII ion is 1.9532 (16) A ° . In the crystal, weak non-classical C-H Cl hydrogen bonds link the molecules into a tape structure along [101]. A weak -- interaction is also observed [centroid-centroid distance = 3.9117 (11) A ° ].
|
|
