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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-3050142 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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