2-Methyl-5-nitro-1H-benzimidazole monohydrate

In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol­ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water mol­ecules via N—H⋯O(water), O(water)—H⋯O and O(water)—H⋯N hydr...

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Autores principales: Ghalib, Raza Murad, Hashim, Rokiah, Sulaiman, Othman, Quah, Ching Kheng, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120310/
https://www.ncbi.nlm.nih.gov/pubmed/21754885
http://dx.doi.org/10.1107/S1600536811019027
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author Ghalib, Raza Murad
Hashim, Rokiah
Sulaiman, Othman
Quah, Ching Kheng
Fun, Hoong-Kun
author_facet Ghalib, Raza Murad
Hashim, Rokiah
Sulaiman, Othman
Quah, Ching Kheng
Fun, Hoong-Kun
author_sort Ghalib, Raza Murad
collection PubMed
description In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol­ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water mol­ecules via N—H⋯O(water), O(water)—H⋯O and O(water)—H⋯N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter­molecular contact between the benzene and imidazole rings, with a centroid–centroid distance of 3.6419 (10) Å, indicates a π–π inter­action.
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spelling pubmed-31203102011-07-13 2-Methyl-5-nitro-1H-benzimidazole monohydrate Ghalib, Raza Murad Hashim, Rokiah Sulaiman, Othman Quah, Ching Kheng Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol­ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water mol­ecules via N—H⋯O(water), O(water)—H⋯O and O(water)—H⋯N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter­molecular contact between the benzene and imidazole rings, with a centroid–centroid distance of 3.6419 (10) Å, indicates a π–π inter­action. International Union of Crystallography 2011-05-25 /pmc/articles/PMC3120310/ /pubmed/21754885 http://dx.doi.org/10.1107/S1600536811019027 Text en © Ghalib 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
Ghalib, Raza Murad
Hashim, Rokiah
Sulaiman, Othman
Quah, Ching Kheng
Fun, Hoong-Kun
2-Methyl-5-nitro-1H-benzimidazole monohydrate
title 2-Methyl-5-nitro-1H-benzimidazole monohydrate
title_full 2-Methyl-5-nitro-1H-benzimidazole monohydrate
title_fullStr 2-Methyl-5-nitro-1H-benzimidazole monohydrate
title_full_unstemmed 2-Methyl-5-nitro-1H-benzimidazole monohydrate
title_short 2-Methyl-5-nitro-1H-benzimidazole monohydrate
title_sort 2-methyl-5-nitro-1h-benzimidazole monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120310/
https://www.ncbi.nlm.nih.gov/pubmed/21754885
http://dx.doi.org/10.1107/S1600536811019027
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