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2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate

The title benzimidazole mol­ecule, C(8)H(8)N(4)O(2)·2H(2)O, is planar with a maximum deviation of 0.079 (2) Å (for one of the O atoms in the nitro group). It crystallized as a dihydrate and inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the uncoordinated water mol­ecules, and the nitro and amin...

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Autores principales: Dinçer, Sebla, Dal, Hakan, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200661/
https://www.ncbi.nlm.nih.gov/pubmed/22059041
http://dx.doi.org/10.1107/S1600536811034647
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author Dinçer, Sebla
Dal, Hakan
Hökelek, Tuncer
author_facet Dinçer, Sebla
Dal, Hakan
Hökelek, Tuncer
author_sort Dinçer, Sebla
collection PubMed
description The title benzimidazole mol­ecule, C(8)H(8)N(4)O(2)·2H(2)O, is planar with a maximum deviation of 0.079 (2) Å (for one of the O atoms in the nitro group). It crystallized as a dihydrate and inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the uncoordinated water mol­ecules, and the nitro and amine groups, respectively. In the crystal, N—H⋯O, O—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules to form a three-dimensional network. A π–π contact between the benzene rings, [centroid–centroid distance = 3.588 (1) Å] may further stabilize the crystal structure.
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spelling pubmed-32006612011-11-06 2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate Dinçer, Sebla Dal, Hakan Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Organic Papers The title benzimidazole mol­ecule, C(8)H(8)N(4)O(2)·2H(2)O, is planar with a maximum deviation of 0.079 (2) Å (for one of the O atoms in the nitro group). It crystallized as a dihydrate and inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the uncoordinated water mol­ecules, and the nitro and amine groups, respectively. In the crystal, N—H⋯O, O—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules to form a three-dimensional network. A π–π contact between the benzene rings, [centroid–centroid distance = 3.588 (1) Å] may further stabilize the crystal structure. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200661/ /pubmed/22059041 http://dx.doi.org/10.1107/S1600536811034647 Text en © Dinçer et al. 2011 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
Dinçer, Sebla
Dal, Hakan
Hökelek, Tuncer
2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate
title 2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate
title_full 2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate
title_fullStr 2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate
title_full_unstemmed 2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate
title_short 2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate
title_sort 2-methyl-5-nitro-1h-benzimidazol-6-amine dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200661/
https://www.ncbi.nlm.nih.gov/pubmed/22059041
http://dx.doi.org/10.1107/S1600536811034647
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