Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate

Wu, H.Q. and Ng, S.W. and Zain, Sharifuddin Md and Gu, L.Q. and Huang, Z.S. and An, L.K. (2004) Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate. Acta Crystallographica Section E: Structure Reports Online, 60 (6). o994-o995. ISSN 1600-5368, DOI

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The structure determination of the compound C7H 9N3O4 reagent that is used in the synthesis of a class of pyschoactive drugs was investigated. It was found that the molecule of the compound was flat in the imidazole portion, but the carboxethyl group was twisted by 15.0 (1)° The compound was synthesized using a published procedure and crystals were obtained by recrystallization from diethyl ether. The structure from the x ray measurements was used for the calculation of the potential energy surface at the PM3 level using HyperChem.

Item Type: Article
Additional Information: Department of Chemistry, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur, MALAYSIA
Uncontrolled Keywords: Carboxylation, Crystal structure, Crystallography, X-Ray Drug products, Molecular structure, Potential energy, Synthesis (chemical), X ray analysis, Crystallographic plane mirrors, Psychoactive drugs, Structure determination, Nitrogen compounds
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science > Department of Chemistry
Depositing User: Miss Malisa Diana
Date Deposited: 22 Apr 2013 01:39
Last Modified: 31 Jan 2019 05:29

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