Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
Document Type
Article
Publication Date
1-1-2004
Abstract
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.
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
Divisions
CHEMISTRY
Publication Title
Acta Crystallographica Section E: Structure Reports Online
Volume
60
Issue
6
Publisher
International Union of Crystallography
Additional Information
Department of Chemistry, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur, MALAYSIA