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

The title benzimidazole mol-ecule, 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 inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the uncoordinated water mol-ecules, and the nitro and amin...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2011-09, Vol.67 (Pt 9), p.o2490-o2491
Main Authors: Dinçer, Sebla, Dal, Hakan, Hökelek, Tuncer
Format: Article
Language:English
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Summary:The title benzimidazole mol-ecule, 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 inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the uncoordinated water mol-ecules, 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 mol-ecules 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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536811034647