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

Haque RA, Iqbal MA, Rosli MM, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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.A π-π 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.

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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 π-π 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.

No MeSH data available.


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The crystal packing of (I). Dashed lines indicate hydrogen bonds. H atoms not involved in the hydrogen bond interactions have been omitted for clarity.
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Fap2: The crystal packing of (I). Dashed lines indicate hydrogen bonds. H atoms not involved in the hydrogen bond interactions have been omitted for clarity.


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

Haque RA, Iqbal MA, Rosli MM, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2012)

The crystal packing of (I). Dashed lines indicate hydrogen bonds. H atoms not involved in the hydrogen bond interactions have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379238&req=5

Fap2: The crystal packing of (I). Dashed lines indicate hydrogen bonds. H atoms not involved in the hydrogen bond interactions have been omitted for clarity.
Bottom Line: 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.A π-π 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.

View Article: PubMed Central - HTML - PubMed

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 π-π 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.

No MeSH data available.


Related in: MedlinePlus