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 https://doi.org/10.1107/S1600536804011080.
Full text not available from this repository.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.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| 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 |
| URI: | http://eprints.um.edu.my/id/eprint/5853 |
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