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1,3-Bis(3-phenyl-prop-yl)benzimidazolium bromide monohydrate.

ABSTRACT: In the title compound, C(25)H(27)N(2) (+)·Br(-)·H(2)O, the benzimidazole unit is essentially planar, with a maximum deviation of 0.020?(6)?Å. The benzimidazole unit makes dihedral angles of 83.6?(3) and 81.0?(3)° with the two terminal phenyl rings. The dihedral angle between the phenyl rings is 58.5?(4)°. In the crystal structure, there are C-H?O hydrogen bonds, a C-H?? inter-action between a phenyl H atom and the phenyl ring of a neighbouring mol-ecule, and a ?-? inter-action [3.512?(3)?Å] between the centroids of the five-membered ring and the benzene ring of the benzimidazole unit of an adjacent mol-ecule.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC2959260 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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1,3-Bis(3-phenyl-prop-yl)benzimidazolium bromide monohydrate.

Akkurt Mehmet M Karaca Selvi S Yılmaz Ulkü U Küçükbay Hasan H Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20080927 Pt 10

In the title compound, C(25)H(27)N(2) (+)·Br(-)·H(2)O, the benzimidazole unit is essentially planar, with a maximum deviation of 0.020 (6) Å. The benzimidazole unit makes dihedral angles of 83.6 (3) and 81.0 (3)° with the two terminal phenyl rings. The dihedral angle between the phenyl rings is 58.5 (4)°. In the crystal structure, there are C-H⋯O hydrogen bonds, a C-H⋯π inter-action between a phenyl H atom and the phenyl ring of a neighbouring mol-ecule, and a π-π inter-action [3.512 (3) Å] betw ...[more]

PMID: 21201214

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