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...
| المؤلفون الرئيسيون: | , , , , , |
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| التنسيق: | مقال |
| منشور في: |
International Union of Crystallography
2004
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| الموضوعات: |
| _version_ | 1825719160826494976 |
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| 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. |
| collection | UM |
| 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. |
| first_indexed | 2024-03-06T05:15:26Z |
| format | Article |
| id | um.eprints-5853 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:15:26Z |
| publishDate | 2004 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | 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, DOI https://doi.org/10.1107/S1600536804011080 <https://doi.org/10.1107/S1600536804011080>. http://www.scopus.com/inward/record.url?eid=2-s2.0-18444411026&partnerID=40&md5=725296204d9e834db293ab32a0f5b293 10.1107/S1600536804011080 |
| 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 |
| title | 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_short | Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate |
| title_sort | ethyl 3 methyl 5 nitro 1h imidazole 2 carboxylate |
| topic | QD Chemistry |
| work_keys_str_mv | AT wuhq ethyl3methyl5nitro1himidazole2carboxylate AT ngsw ethyl3methyl5nitro1himidazole2carboxylate AT zainsharifuddinmd ethyl3methyl5nitro1himidazole2carboxylate AT gulq ethyl3methyl5nitro1himidazole2carboxylate AT huangzs ethyl3methyl5nitro1himidazole2carboxylate AT anlk ethyl3methyl5nitro1himidazole2carboxylate |