Cover Image

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

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 synthes...

Full description

Saved in:
Bibliographic Details
Main Authors: Wu, H.Q., Ng, S.W., Zain, Sharifuddin Md, Gu, L.Q., Huang, Z.S., An, L.K.
Format: Article
Published: International Union of Crystallography 2004
Subjects:
QD Chemistry
Online Access:http://eprints.um.edu.my/5853/
http://www.scopus.com/inward/record.url?eid=2-s2.0-18444411026&partnerID=40&md5=725296204d9e834db293ab32a0f5b293
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.um.eprints.5853
record_format eprints
spelling my.um.eprints.58532019-01-31T05:29:07Z http://eprints.um.edu.my/5853/ Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate Wu, H.Q. Ng, S.W. Zain, Sharifuddin Md Gu, L.Q. Huang, Z.S. An, L.K. QD Chemistry 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. International Union of Crystallography 2004 Article PeerReviewed 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 http://www.scopus.com/inward/record.url?eid=2-s2.0-18444411026&partnerID=40&md5=725296204d9e834db293ab32a0f5b293 10.1107/S1600536804011080
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic QD Chemistry
spellingShingle QD Chemistry
Wu, H.Q.
Ng, S.W.
Zain, Sharifuddin Md
Gu, L.Q.
Huang, Z.S.
An, L.K.
Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
description 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.
format Article
author Wu, H.Q.
Ng, S.W.
Zain, Sharifuddin Md
Gu, L.Q.
Huang, Z.S.
An, L.K.
author_facet Wu, H.Q.
Ng, S.W.
Zain, Sharifuddin Md
Gu, L.Q.
Huang, Z.S.
An, L.K.
author_sort Wu, H.Q.
title Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
title_short Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
title_full Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
title_fullStr Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
title_full_unstemmed Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
title_sort ethyl 3-methyl-5-nitro-1h-imidazole-2-carboxylate
publisher International Union of Crystallography
publishDate 2004
url http://eprints.um.edu.my/5853/
http://www.scopus.com/inward/record.url?eid=2-s2.0-18444411026&partnerID=40&md5=725296204d9e834db293ab32a0f5b293
_version_ 1643687690011410432
score 13.160551

Similar Items