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3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)

The title N-heterocyclic carbene compound, C(21)H(22)N(4) (2+)·2PF(6) (−), crystallizes as an inversion twin. There are two independent N-heterocyclic carbene dications (A and B) and four independent hexa­fluoro­phosphate anions in the asymmetric unit. The cations are L-shaped with the benzene rings...

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Detalles Bibliográficos
Autores principales: Huang, Kun, Zhang, Ping, Qin, Da-Bin
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007944/
https://www.ncbi.nlm.nih.gov/pubmed/21588575
http://dx.doi.org/10.1107/S1600536810029727
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author Huang, Kun
Zhang, Ping
Qin, Da-Bin
author_facet Huang, Kun
Zhang, Ping
Qin, Da-Bin
author_sort Huang, Kun
collection PubMed
description The title N-heterocyclic carbene compound, C(21)H(22)N(4) (2+)·2PF(6) (−), crystallizes as an inversion twin. There are two independent N-heterocyclic carbene dications (A and B) and four independent hexa­fluoro­phosphate anions in the asymmetric unit. The cations are L-shaped with the benzene rings being inclined to one another by 88.82 (16)° in cation A and 87.03 (16)° in cation B. The imidazole rings make dihedral angles of 35.7 (2) and 32.83 (18)° with the attached benzene rings in cation A, and 30.14 (19) and 31.96 (18)° in cation B. In the crystal, the cations are linked via C—H⋯F hydrogen bonds, forming a three-dimensional network. π–π inter­actions involving the benzene and imidazole rings [centroid–centroid distances = 3.602 (2) and 3.723 (2) Å] and C—H⋯π inter­actions are also present.
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spelling pubmed-30079442010-12-30 3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate) Huang, Kun Zhang, Ping Qin, Da-Bin Acta Crystallogr Sect E Struct Rep Online Organic Papers The title N-heterocyclic carbene compound, C(21)H(22)N(4) (2+)·2PF(6) (−), crystallizes as an inversion twin. There are two independent N-heterocyclic carbene dications (A and B) and four independent hexa­fluoro­phosphate anions in the asymmetric unit. The cations are L-shaped with the benzene rings being inclined to one another by 88.82 (16)° in cation A and 87.03 (16)° in cation B. The imidazole rings make dihedral angles of 35.7 (2) and 32.83 (18)° with the attached benzene rings in cation A, and 30.14 (19) and 31.96 (18)° in cation B. In the crystal, the cations are linked via C—H⋯F hydrogen bonds, forming a three-dimensional network. π–π inter­actions involving the benzene and imidazole rings [centroid–centroid distances = 3.602 (2) and 3.723 (2) Å] and C—H⋯π inter­actions are also present. International Union of Crystallography 2010-08-04 /pmc/articles/PMC3007944/ /pubmed/21588575 http://dx.doi.org/10.1107/S1600536810029727 Text en © Huang 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
Huang, Kun
Zhang, Ping
Qin, Da-Bin
3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)
title 3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)
title_full 3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)
title_fullStr 3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)
title_full_unstemmed 3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)
title_short 3,3′-Dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)
title_sort 3,3′-dimethyl-1,1′-(methyl­enedi-p-phenyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007944/
https://www.ncbi.nlm.nih.gov/pubmed/21588575
http://dx.doi.org/10.1107/S1600536810029727
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