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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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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/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. |
format | Text |
id | pubmed-3007944 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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