3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate

In the title compound, C(12)H(12)N(3) (+)·PF(6) (−), the hexa­fluoro­phosphate 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 a...

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Autores principales: Haque, Rosenani A., Zetty, Zulikha H., Salman, Abbas Washeel, Fun, Hoong-Kun, Ooi, Chin Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275236/
https://www.ncbi.nlm.nih.gov/pubmed/22347092
http://dx.doi.org/10.1107/S1600536812001882
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author Haque, Rosenani A.
Zetty, Zulikha H.
Salman, Abbas Washeel
Fun, Hoong-Kun
Ooi, Chin Wei
author_facet Haque, Rosenani A.
Zetty, Zulikha H.
Salman, Abbas Washeel
Fun, Hoong-Kun
Ooi, Chin Wei
author_sort Haque, Rosenani A.
collection PubMed
description In the title compound, C(12)H(12)N(3) (+)·PF(6) (−), the hexa­fluoro­phosphate 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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spelling pubmed-32752362012-02-15 3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate Haque, Rosenani A. Zetty, Zulikha H. Salman, Abbas Washeel Fun, Hoong-Kun Ooi, Chin Wei Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(12)N(3) (+)·PF(6) (−), the hexa­fluoro­phosphate 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. International Union of Crystallography 2012-01-21 /pmc/articles/PMC3275236/ /pubmed/22347092 http://dx.doi.org/10.1107/S1600536812001882 Text en © Haque et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Haque, Rosenani A.
Zetty, Zulikha H.
Salman, Abbas Washeel
Fun, Hoong-Kun
Ooi, Chin Wei
3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate
title 3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate
title_full 3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate
title_fullStr 3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate
title_full_unstemmed 3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate
title_short 3-(3-Cyano­benz­yl)-1-methyl-1H-imidazol-3-ium hexa­fluoro­phosphate
title_sort 3-(3-cyano­benz­yl)-1-methyl-1h-imidazol-3-ium hexa­fluoro­phosphate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275236/
https://www.ncbi.nlm.nih.gov/pubmed/22347092
http://dx.doi.org/10.1107/S1600536812001882
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