1-Decyl-6-nitro-1H-benzimidazol-2(3H)-one

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2937. doi: 10.1107/S1600536811041389. Epub 2011 Oct 12.

Abstract

The title mol-ecule, C(17)H(25)N(3)O(3), is built up from fused six- and five-membered rings linked to a -C(10)H(21) chain. The fused-ring system is essentially planar, the largest deviation from the mean plane being 0.009 (2) Å. The chain is roughly perpendic-ular to this plane, making a dihedral angle of 79.5 (2)°. In the crystal, N-H⋯O hydrogen bonds build infinite chains along [010]. There are channels in the structure containing disordered hexane. The contribution of this solvent to the scattering power was suppressed using the SQUEEZE option in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155].