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

ABSTRACT: 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 ?-? contact between the benzene rings, [centroid-centroid distance = 3.588?(1)?Å] may further stabilize the crystal structure.

SUBMITTER: Dincer S 

PROVIDER: S-EPMC3200661 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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

Dinçer Sebla S   Dal Hakan H   Hökelek Tuncer T  

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

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-centroi  ...[more]

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