Research Article: 2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate

Date Published: April 01, 2012

Publisher: International Union of Crystallography

Author(s): Ming-Liang Liu.


Ihe title salt, C8H6F3N2+·NO3−, the F atoms of the triflouromethyl group are disordered over two sets of sites in a 0.58 (2):0.42 (2) ratio. In the crystal, N—H⋯O hydrogen bonds link the cations and anions into chains running parallel to the b axis. There is π–π stacking between symmetry-related benzene rings with a centroid-centroid distance of 3.949 (3) Å. The crystal studied was a non-merohedral twin, with a 19% minor component.

Partial Text

The title compound was synthesized as part of a search for potential ferroelectric compouns. For background to ferroelectric complexes, see: Fu et al. (2011 ▶); Zhang et al. (2010 ▶). For related structures, see: Liu (2011a ▶,b ▶, 2012 ▶). For the separation of the non-merohedrally twinned diffraction data, see: Spek (2009 ▶).