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3,3'-Dibenzyl-1,1'-[naphthalene-1,4-diylbis(methyl-ene)]di(1H-imidazol-3-ium) bis-(hexa-fluoro-phosphate).

ABSTRACT: 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 intra-molecular C-H?N hydrogen bond occurs. The crystal structure is stabilized by C-H?F inter-actions. In addition, ?-? inter-actions [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.

SUBMITTER: Liu CL 

PROVIDER: S-EPMC3200774 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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3,3'-Dibenzyl-1,1'-[naphthalene-1,4-diylbis(methyl-ene)]di(1H-imidazol-3-ium) bis-(hexa-fluoro-phosphate).

Liu Chang-Lu CL   Huang Kun K  

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

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 intra-molecular C-H⋯N hydrogen bond occurs. The crystal structure is stabilized by C-H⋯F inter-actions. In addition, π-π inter-actions [centroid-centroid distances = 3.848 (1) and 3.574 (3) Å] are observed. The nine equatorial F atoms in the  ...[more]

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