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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...

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Detalles Bibliográficos
Autores principales: Liu, Chang-Lu, Huang, Kun
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
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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.
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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
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