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3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)

In the title compound [systematic name: 3,3′-Dibutyl-1,1′-(5-methyl-m-phenyl­enedimethyl­ene)diimidazol-1-ium bis­(hexa­fluoridophosphate)], C(23)H(34)N(4) (2+)·2PF(6) (−), the imidazole rings are inclined at angles of 68.06 (7) and 75.05 (8)° with respect to the central benzene ring. In the crystal...

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Autores principales: Haque, Rosenani A., Washeel, Abbas, Teoh, Siang Guan, 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/PMC3009333/
https://www.ncbi.nlm.nih.gov/pubmed/21588994
http://dx.doi.org/10.1107/S1600536810040055
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author Haque, Rosenani A.
Washeel, Abbas
Teoh, Siang Guan
Quah, Ching Kheng
Fun, Hoong-Kun
author_facet Haque, Rosenani A.
Washeel, Abbas
Teoh, Siang Guan
Quah, Ching Kheng
Fun, Hoong-Kun
author_sort Haque, Rosenani A.
collection PubMed
description In the title compound [systematic name: 3,3′-Dibutyl-1,1′-(5-methyl-m-phenyl­enedimethyl­ene)diimidazol-1-ium bis­(hexa­fluoridophosphate)], C(23)H(34)N(4) (2+)·2PF(6) (−), the imidazole rings are inclined at angles of 68.06 (7) and 75.05 (8)° with respect to the central benzene ring. In the crystal, mol­ecules are linked into one-dimensional columns along [010] via weak inter­molecular C—H⋯F hydrogen bonds. The crystal structure is further consolidated by weak C—H⋯π(arene) inter­actions. One of the n-butyl groups is disordered over two sites with refined occupancies of 0.694 (5) and 0.306 (5). In addition, four of the F atoms of one of the PF(6) (−) cations are disordered over two sites with occupancies of 0.64 (3) and 0.36 (3).
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spelling pubmed-30093332010-12-30 3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate) Haque, Rosenani A. Washeel, Abbas Teoh, Siang Guan Quah, Ching Kheng Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound [systematic name: 3,3′-Dibutyl-1,1′-(5-methyl-m-phenyl­enedimethyl­ene)diimidazol-1-ium bis­(hexa­fluoridophosphate)], C(23)H(34)N(4) (2+)·2PF(6) (−), the imidazole rings are inclined at angles of 68.06 (7) and 75.05 (8)° with respect to the central benzene ring. In the crystal, mol­ecules are linked into one-dimensional columns along [010] via weak inter­molecular C—H⋯F hydrogen bonds. The crystal structure is further consolidated by weak C—H⋯π(arene) inter­actions. One of the n-butyl groups is disordered over two sites with refined occupancies of 0.694 (5) and 0.306 (5). In addition, four of the F atoms of one of the PF(6) (−) cations are disordered over two sites with occupancies of 0.64 (3) and 0.36 (3). International Union of Crystallography 2010-10-13 /pmc/articles/PMC3009333/ /pubmed/21588994 http://dx.doi.org/10.1107/S1600536810040055 Text en © Haque et al. 2010 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.
Washeel, Abbas
Teoh, Siang Guan
Quah, Ching Kheng
Fun, Hoong-Kun
3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
title 3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
title_full 3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
title_fullStr 3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
title_full_unstemmed 3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
title_short 3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
title_sort 3,5-bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009333/
https://www.ncbi.nlm.nih.gov/pubmed/21588994
http://dx.doi.org/10.1107/S1600536810040055
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