Sökning: WFRF:(Reddy G. N. Manjunatha)
> (2022) >
A potent anesthetic...
A potent anesthetic drug salt: experimental and computational studies
-
- Manjunatha, N. K. (författare)
- Sri Venkateshwara Coll Engn, Dept Chem, Bengaluru 562157, India.;Visvesvaraya Technol Univ, Belagavi, Karnataka, India.,CMR Inst Technol, Dept Chem, Bengaluru 56007, India.;Visvesvaraya Technol Univ, Belagavi, Karnataka, India.
-
- Alzubaidy, N. N. (författare)
- Albalqa Appl Univ, Fac Engn Technol, Phys & Basic Sci Dept, Amman 11134, Jordan.
-
- Likhitha, U. (författare)
- St Agnes Coll, Dept Chem, Ctr Post Grad Studies & Res, Mangaluru 575002, India.
-
visa fler...
-
- Manjunatha, M. (författare)
- Sambhram Inst Technol, Dept Chem, Bengaluru 560097, India.;Visvesvaraya Technol Univ, Belagavi, Karnataka, India.
-
- Saravanan, K. (författare)
- Univ Warsaw, Fac Chem, Ludwika Pasteura 1, PL-02093 Warsaw, Poland.
-
- Reddy, B. V. K. (författare)
- Uppsala universitet,Institutionen för farmaceutisk biovetenskap
-
Kannika, B. R. (författare)
-
- Somashekarachar, G. (författare)
- JSS Acad Higher Educ & Res, JSS Dent Coll & Hosp, Dept Prosthodont, Mysuru 570023, India.
-
Swamy, M. T. (författare)
-
- Siddaraju, B. P. (författare)
- Cauvery Inst Technol, Dept Chem, Mandya 571402, India.;Visvesvaraya Technol Univ, Belagavi, Karnataka, India.
-
- Nagendra, P. (författare)
- Bharathi Coll, Dept Chem, Bharathinagara 571422, Mandya, India.
-
Rajesha,, Rajesha, (författare)
-
- Kumar, Madan (författare)
- Uppsala universitet,Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,Biokemi,Univ Gothenburg, Dept Chem & Mol Biol, S-40530 Gothenburg, Sweden.
-
visa färre...
-
Sri Venkateshwara Coll Engn, Dept Chem, Bengaluru 562157, India;Visvesvaraya Technol Univ, Belagavi, Karnataka, India. CMR Inst Technol, Dept Chem, Bengaluru 56007, India.;Visvesvaraya Technol Univ, Belagavi, Karnataka, India. (creator_code:org_t)
- Elsevier BV, 2022
- 2022
- Engelska.
-
Ingår i: Journal of Molecular Structure. - : Elsevier BV. - 0022-2860 .- 1872-8014. ; 1263
- Relaterad länk:
-
https://doi.org/10.1...
-
visa fler...
-
https://uu.diva-port... (primary) (Raw object)
-
https://gup.ub.gu.se...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
visa färre...
Abstract
Ämnesord
Stäng
- The title compound Ethyl 4-aminobenzoate - 3,5-dinitrosalicylate salt [ES] has been synthesized, crystallized and characterized using FTIR, H-1 NMR, C-13 NMR and confirmed by single crystal X-ray diffraction method. The molecular structure and crystal packing were carried out using theoretical optimization at the DFT level and the concept of atom in molecules (AIM) analysis was performed. Further, the molecular packing is visualized and quantified using Hirshfeld surfaces analysis. The crystal structure is stabilized via intermolecular hydrogen bonds of the type N - H O-center dot center dot center dot and O - H O-center dot center dot center dot. The hydrogen bonding acquires three-dimensional architecture and the molecules in the crystal are connected through C(8) hydrogen motif. The inter contact H center dot center dot center dot O (45.0%) contributes more to the Hirshfeld surfaces and the strength and stability of the multicomponent crystal have been estimated using the energy framework calculation. Further, the biological study of the title compound was studied through antibacterial and antifungal activities. (C) 2022 The Authors. Published by Elsevier B.V.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
Nyckelord
- Ethyl 4-aminobenzoate-3
- 5-dinitrosalicylate
- Crystal structure
- Hydrogen
- motif
- DFT
- Antifungal
- Hirshfeld surfaces
- solid-state
- ethyl
- complexes
- Chemistry
- Ethyl 4-aminobenzoate-3
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas
- Av författaren/redakt...
-
Manjunatha, N. K ...
-
Alzubaidy, N. N.
-
Likhitha, U.
-
Manjunatha, M.
-
Saravanan, K.
-
Reddy, B. V. K.
-
visa fler...
-
Kannika, B. R.
-
Somashekarachar, ...
-
Swamy, M. T.
-
Siddaraju, B. P.
-
Nagendra, P.
-
Rajesha,, Rajesh ...
-
Kumar, Madan
-
visa färre...
- Om ämnet
-
- NATURVETENSKAP
-
NATURVETENSKAP
-
och Kemi
-
- NATURVETENSKAP
-
NATURVETENSKAP
-
och Kemi
-
och Organisk kemi
- Artiklar i publikationen
-
Journal of Molec ...
- Av lärosätet
-
Göteborgs universitet
-
Uppsala universitet