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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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Detalles Bibliográficos
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
Descripción
Sumario: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.