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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3200661 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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