Research Article: 2-Methyl-5-nitro-1H-benzimidazole monohydrate

Date Published: June 01, 2011

Publisher: International Union of Crystallography

Author(s): Raza Murad Ghalib, Rokiah Hashim, Othman Sulaiman, Ching Kheng Quah, Hoong-Kun Fun.

http://doi.org/10.1107/S1600536811019027

Abstract

In the title compound, C8H7N3O2·H2O, the 2-methyl-5-nitro-1H-benzimidazole mol­ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water mol­ecules via N—H⋯O(water), O(water)—H⋯O and O(water)—H⋯N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter­molecular contact between the benzene and imidazole rings, with a centroid–centroid distance of 3.6419 (10) Å, indicates a π–π inter­action.

Partial Text

For general background to and the potential biological activity of benzimidazole derivatives, see: Puratchikody et al. (2008 ▶); Tonelli et al. (2010 ▶); Shingalapur et al. (2010 ▶); Refaat (2010 ▶); Lazer et al. (1987 ▶). For the preparation of the title compound, see: Umare et al. (2008 ▶); Singh & Pathak (2008 ▶). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶). For standard bond-length data, see: Allen et al. (1987 ▶). For related structures, see: Eltayeb et al. (2009 ▶); Arumugam et al. (2010 ▶).

Source:

http://doi.org/10.1107/S1600536811019027