Cargando…
3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate)
In the title N-heterocyclic carbene compound, C(32)H(30)N(4) (2+)·2PF(6) (−), the mean plane of the naphthalene ring system makes dihedral angles of 79.15 (15) and 76.85 (16) with the imidazole rings and 56.15 (19) and 80.56 (16)° with the benzene rings. An intramolecular C—H⋯N hydrogen bond occurs...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200774/ https://www.ncbi.nlm.nih.gov/pubmed/22064506 http://dx.doi.org/10.1107/S1600536811032132 |
_version_ | 1782214746560266240 |
---|---|
author | Liu, Chang-Lu Huang, Kun |
author_facet | Liu, Chang-Lu Huang, Kun |
author_sort | Liu, Chang-Lu |
collection | PubMed |
description | In the title N-heterocyclic carbene compound, C(32)H(30)N(4) (2+)·2PF(6) (−), the mean plane of the naphthalene ring system makes dihedral angles of 79.15 (15) and 76.85 (16) with the imidazole rings and 56.15 (19) and 80.56 (16)° with the benzene rings. An intramolecular C—H⋯N hydrogen bond occurs. The crystal structure is stabilized by C—H⋯F interactions. In addition, π–π interactions [centroid–centroid distances = 3.848 (1) and 3.574 (3) Å] are observed. The nine equatorial F atoms in the two PF(6) (−) anions were disordered over two positions with occupancy ratios of 0.545 (10):0.455 (10) and 0.793 (11):0.207 (11) in the two anions. |
format | Online Article Text |
id | pubmed-3200774 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32007742011-11-06 3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate) Liu, Chang-Lu Huang, Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title N-heterocyclic carbene compound, C(32)H(30)N(4) (2+)·2PF(6) (−), the mean plane of the naphthalene ring system makes dihedral angles of 79.15 (15) and 76.85 (16) with the imidazole rings and 56.15 (19) and 80.56 (16)° with the benzene rings. An intramolecular C—H⋯N hydrogen bond occurs. The crystal structure is stabilized by C—H⋯F interactions. In addition, π–π interactions [centroid–centroid distances = 3.848 (1) and 3.574 (3) Å] are observed. The nine equatorial F atoms in the two PF(6) (−) anions were disordered over two positions with occupancy ratios of 0.545 (10):0.455 (10) and 0.793 (11):0.207 (11) in the two anions. International Union of Crystallography 2011-08-17 /pmc/articles/PMC3200774/ /pubmed/22064506 http://dx.doi.org/10.1107/S1600536811032132 Text en © Liu and Huang 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 Liu, Chang-Lu Huang, Kun 3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate) |
title | 3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate) |
title_full | 3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate) |
title_fullStr | 3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate) |
title_full_unstemmed | 3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate) |
title_short | 3,3′-Dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1H-imidazol-3-ium) bis(hexafluorophosphate) |
title_sort | 3,3′-dibenzyl-1,1′-[naphthalene-1,4-diylbis(methylene)]di(1h-imidazol-3-ium) bis(hexafluorophosphate) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200774/ https://www.ncbi.nlm.nih.gov/pubmed/22064506 http://dx.doi.org/10.1107/S1600536811032132 |
work_keys_str_mv | AT liuchanglu 33dibenzyl11naphthalene14diylbismethylenedi1himidazol3iumbishexafluorophosphate AT huangkun 33dibenzyl11naphthalene14diylbismethylenedi1himidazol3iumbishexafluorophosphate |