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1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)

In the title compound, C(20)H(24)N(4) (2+)·2PF(6) (−), the ethene and 3-allyl­imidazolium moieties of the cation are disordered over two positions with refined site occupancies of 0.664 (19):0.336 (19) and 0.784 (7):0.216 (7), respectively, whereas four F atoms of one hexa­fluoridophosphate anion an...

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Autores principales: Haque, Rosenani A., Ghdhayeb, Mohammed Z., Abdallah, Hassan H., Quah, Ching Kheng, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050142/
https://www.ncbi.nlm.nih.gov/pubmed/21522792
http://dx.doi.org/10.1107/S1600536810050683
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author Haque, Rosenani A.
Ghdhayeb, Mohammed Z.
Abdallah, Hassan H.
Quah, Ching Kheng
Fun, Hoong-Kun
author_facet Haque, Rosenani A.
Ghdhayeb, Mohammed Z.
Abdallah, Hassan H.
Quah, Ching Kheng
Fun, Hoong-Kun
author_sort Haque, Rosenani A.
collection PubMed
description In the title compound, C(20)H(24)N(4) (2+)·2PF(6) (−), the ethene and 3-allyl­imidazolium moieties of the cation are disordered over two positions with refined site occupancies of 0.664 (19):0.336 (19) and 0.784 (7):0.216 (7), respectively, whereas four F atoms of one hexa­fluoridophosphate anion and all atoms in the other hexa­fluoridophosphate anion are disordered over two positions with refined site occupancies of 0.764 (5):0.2365) and 0.847 (9):0.153 (9), respectively. The benzene ring is inclined at angles of 78.2 (3), 81.3 (4) and 73.9 (12)° with the 1H-imidazol-3-ium ring and the major and minor components of the disordered 1H-imidazol-3-ium ring, respectively. In the crystal, the hexa­fluoridophosphate anions link the cations into two-dimensional networks parallel to (001) via inter­molecular C—H⋯F hydrogen bonds. The crystal structure is further consolidated by π–π [centroid–centroid distance = 3.672 (3) Å] and C—H⋯π inter­actions.
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spelling pubmed-30501422011-04-26 1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate) Haque, Rosenani A. Ghdhayeb, Mohammed Z. Abdallah, Hassan H. Quah, Ching Kheng Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(24)N(4) (2+)·2PF(6) (−), the ethene and 3-allyl­imidazolium moieties of the cation are disordered over two positions with refined site occupancies of 0.664 (19):0.336 (19) and 0.784 (7):0.216 (7), respectively, whereas four F atoms of one hexa­fluoridophosphate anion and all atoms in the other hexa­fluoridophosphate anion are disordered over two positions with refined site occupancies of 0.764 (5):0.2365) and 0.847 (9):0.153 (9), respectively. The benzene ring is inclined at angles of 78.2 (3), 81.3 (4) and 73.9 (12)° with the 1H-imidazol-3-ium ring and the major and minor components of the disordered 1H-imidazol-3-ium ring, respectively. In the crystal, the hexa­fluoridophosphate anions link the cations into two-dimensional networks parallel to (001) via inter­molecular C—H⋯F hydrogen bonds. The crystal structure is further consolidated by π–π [centroid–centroid distance = 3.672 (3) Å] and C—H⋯π inter­actions. International Union of Crystallography 2010-12-11 /pmc/articles/PMC3050142/ /pubmed/21522792 http://dx.doi.org/10.1107/S1600536810050683 Text en © Haque et al. 2011 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.
Ghdhayeb, Mohammed Z.
Abdallah, Hassan H.
Quah, Ching Kheng
Fun, Hoong-Kun
1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)
title 1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)
title_full 1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)
title_fullStr 1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)
title_full_unstemmed 1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)
title_short 1,3-Bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)
title_sort 1,3-bis[(3-allyl­imidazol-3-ium-1-yl)meth­yl]benzene bis­(hexa­fluoridophosphate)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050142/
https://www.ncbi.nlm.nih.gov/pubmed/21522792
http://dx.doi.org/10.1107/S1600536810050683
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