Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Lokaj, Jan, Kettmann, Viktor, Solčan, Tomáš, Katuščák, Svetozar
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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
_version_ 1782188883659718656
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