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3,3'-Dimethyl-1,1'-(methyl-enedi-p-phenyl-ene)diimidazolium bis-(hexa-fluoro-phosphate).

ABSTRACT: 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 hexa-fluoro-phosphate 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 inter-actions involving the benzene and imidazole rings [centroid-centroid distances = 3.602 (2) and 3.723 (2) Å] and C-H⋯π inter-actions are also present.

SUBMITTER: Huang K 

PROVIDER: S-EPMC3007944 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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3,3'-Dimethyl-1,1'-(methyl-enedi-p-phenyl-ene)diimidazolium bis-(hexa-fluoro-phosphate).

Huang Kun K   Zhang Ping P   Qin Da-Bin DB  

Acta crystallographica. Section E, Structure reports online 20100804 Pt 9

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 hexa-fluoro-phosphate 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,  ...[more]

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