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. 2012 Feb 1;68(Pt 2):o489-90.
doi: 10.1107/S1600536812001882. Epub 2012 Jan 21.

3-(3-Cyano-benz-yl)-1-methyl-1H-imidazol-3-ium hexa-fluoro-phosphate

Rosenani A Haque, Zulikha H Zetty, Abbas Washeel Salman, Hoong-Kun Fun, Chin Wei Ooi

3-(3-Cyano-benz-yl)-1-methyl-1H-imidazol-3-ium hexa-fluoro-phosphate

Rosenani A Haque et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(12)H(12)N(3) (+)·PF(6) (-), the hexa-fluoro-phosphate anion is disordered over two orientations with refined site occupancies of 0.8071 (17) and 0.1929 (17). The dihedral angle between the imidazole and benzene rings in the cation is 71.26 (7)°. In the crystal, the cations and anions are linked by C-H⋯F and C-H⋯N hydrogen bonds into a three-dimensional network.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing 50% probability displacement ellipsoids. The minor component is shown by the open bonds.
Fig. 2.
Fig. 2.
The crystal packing of the title compound, showing the three-dimensional network. Only the major component is shown. H atoms not involved in the intermolecular interactions (dashed lines) have been omitted for clarity.
See this image and copyright information in PMC

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