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

Abstract

The title benzimidazole molecule, C8H8N4O2 center dot 2H(2)O, is planar with a maximum deviation of 0.079 (2) angstrom (for one of the O atoms in the nitro group). It crystallized as a dihydrate and intermolecular O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link the uncoordinated water molecules, and the nitro and amine groups, respectively. In the crystal, N-H center dot center dot center dot O, O-H center dot center dot center dot N, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds link the molecules to form a three-dimensional network. A pi-pi contact between the benzene rings, [centroid-centroid distance = 3.588 (1) angstrom] may further stabilize the crystal structure.