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1-Methyl-6-nitro-1H-benzimidazole
The title compound, C(8)H(7)N(3)O(2), a potential antitumour drug and an antioxidant agent, was studied in order to give more insight into structure–function relationships. The 1-methylbenzimidazole unit of the molecule was found to be exactly planar and the nitro group is inclined at an angle o...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961028/ https://www.ncbi.nlm.nih.gov/pubmed/21202065 http://dx.doi.org/10.1107/S1600536808005886 |
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author | Lokaj, Jan Kettmann, Viktor Solčan, Tomáš Katuščák, Svetozar |
author_facet | Lokaj, Jan Kettmann, Viktor Solčan, Tomáš Katuščák, Svetozar |
author_sort | Lokaj, Jan |
collection | PubMed |
description | The title compound, C(8)H(7)N(3)O(2), a potential antitumour drug and an antioxidant agent, was studied in order to give more insight into structure–function relationships. The 1-methylbenzimidazole unit of the molecule was found to be exactly planar and the nitro group is inclined at an angle of 10.4 (2)° to the plane of the heterocycle. The bond lengths in the present derivative were analyzed in details and compared with those of the parent unsubstituted analogues in the Cambridge Structural Database. The results have shown that the additional nitro group is not involved in conjugation with the adjacent π-system and hence has no effect on the charge distribution of the heterocyclic ring. |
format | Text |
id | pubmed-2961028 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29610282010-12-30 1-Methyl-6-nitro-1H-benzimidazole Lokaj, Jan Kettmann, Viktor Solčan, Tomáš Katuščák, Svetozar Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(8)H(7)N(3)O(2), a potential antitumour drug and an antioxidant agent, was studied in order to give more insight into structure–function relationships. The 1-methylbenzimidazole unit of the molecule was found to be exactly planar and the nitro group is inclined at an angle of 10.4 (2)° to the plane of the heterocycle. The bond lengths in the present derivative were analyzed in details and compared with those of the parent unsubstituted analogues in the Cambridge Structural Database. The results have shown that the additional nitro group is not involved in conjugation with the adjacent π-system and hence has no effect on the charge distribution of the heterocyclic ring. International Union of Crystallography 2008-03-05 /pmc/articles/PMC2961028/ /pubmed/21202065 http://dx.doi.org/10.1107/S1600536808005886 Text en © Lokaj et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Lokaj, Jan Kettmann, Viktor Solčan, Tomáš Katuščák, Svetozar 1-Methyl-6-nitro-1H-benzimidazole |
title | 1-Methyl-6-nitro-1H-benzimidazole |
title_full | 1-Methyl-6-nitro-1H-benzimidazole |
title_fullStr | 1-Methyl-6-nitro-1H-benzimidazole |
title_full_unstemmed | 1-Methyl-6-nitro-1H-benzimidazole |
title_short | 1-Methyl-6-nitro-1H-benzimidazole |
title_sort | 1-methyl-6-nitro-1h-benzimidazole |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961028/ https://www.ncbi.nlm.nih.gov/pubmed/21202065 http://dx.doi.org/10.1107/S1600536808005886 |
work_keys_str_mv | AT lokajjan 1methyl6nitro1hbenzimidazole AT kettmannviktor 1methyl6nitro1hbenzimidazole AT solcantomas 1methyl6nitro1hbenzimidazole AT katuscaksvetozar 1methyl6nitro1hbenzimidazole |