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3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-1H-benzimidazol-1-ium) bis-(hexa-flourophosphate).

ABSTRACT: In the title compound, C(26)H(28)N(4) (2+)·2PF(6) (-), the complete cation is generated by a crystallographic twofold axis. The benz-imidazole ring is almost planar (r.m.s. deviation = 0.0207?Å) and makes dihedral angles of 50.12?(2)° with its symmetry-related component and 65.81?(2)° with the central benzene ring. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?F inter-actions. A ?-? inter-action with a centroid-centroid distance of 3.530?(1)?Å is observed. Four F atoms of the hexa-fluoro-phosphate anion are disordered over two sets of sites in a 0.889?(6):0.111?(6) ratio.

SUBMITTER: Haque RA

PROVIDER: S-EPMC3379238 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-1H-benzimidazol-1-ium) bis-(hexa-flourophosphate).

Haque Rosenani A RA Iqbal Muhammad Adnan MA Iqbal Muhammad Adnan MA Rosli Mohd Mustaqim MM Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120505 Pt 6

In the title compound, C(26)H(28)N(4) (2+)·2PF(6) (-), the complete cation is generated by a crystallographic twofold axis. The benz-imidazole ring is almost planar (r.m.s. deviation = 0.0207 Å) and makes dihedral angles of 50.12 (2)° with its symmetry-related component and 65.81 (2)° with the central benzene ring. In the crystal, mol-ecules are linked into a three-dimensional network by C-H⋯F inter-actions. A π-π inter-action with a centroid-centroid distance of 3.530 (1) Å is observed. Four F ...[more]

PMID: 22719436

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3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-benzimidazolium) dibromide.

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