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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 | 2011-01-01

REPOSITORIES: biostudies

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