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

Publication Title

Acta Crystallographica Section E: Structure Reports Online

ISSN

1600-5368

Divisions

CHEMISTRY

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

This document is currently not available here.

Share

COinS