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

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.

SUBMITTER: Haque RA

PROVIDER: S-EPMC3275236 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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

Haque Rosenani A RA Zetty Zulikha H ZH Salman Abbas Washeel AW Fun Hoong-Kun HK Ooi Chin Wei CW

Acta crystallographica. Section E, Structure reports online 20120121 Pt 2

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. ...[more]

PMID: 22347092

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