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1-{[Dimeth-yl(phen-yl)sil-yl]meth-yl}-3-(2-phenyl-eth-yl)-1H-benzimidazol-3-ium bromide monohydrate.

ABSTRACT: The title compound, C(24)H(27)N(2)Si(+)·Br(-)·H(2)O, was synthesized from 1-(dimethyl-phenyl-silylmeth-yl)-1H-benzimidazole and (2-bromo-eth-yl)benzene in dimethyl-formamide. The benzimidazole ring system is nearly planar, with a maximum deviation of 0.015?(5)?Å, and forms dihedral angles of 73.0?(3) and 39.6?(2)°, with the phenyl rings. In the crystal, mol-ecules are linked by O-H?Br, C-H?Br and C-H?O hydrogen bonds. In addition, the structure features ?-? stacking inter-actions, with a face-to-face separation of 3.644?(3)?Å between parallel benzimidazole ring systems.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC3435733 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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1-{[Dimeth-yl(phen-yl)sil-yl]meth-yl}-3-(2-phenyl-eth-yl)-1H-benzimidazol-3-ium bromide monohydrate.

Akkurt Mehmet M Küçükbay Hasan H Sireci Nihat N Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20120815 Pt 9

The title compound, C(24)H(27)N(2)Si(+)·Br(-)·H(2)O, was synthesized from 1-(dimethyl-phenyl-silylmeth-yl)-1H-benzimidazole and (2-bromo-eth-yl)benzene in dimethyl-formamide. The benzimidazole ring system is nearly planar, with a maximum deviation of 0.015 (5) Å, and forms dihedral angles of 73.0 (3) and 39.6 (2)°, with the phenyl rings. In the crystal, mol-ecules are linked by O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds. In addition, the structure features π-π stacking inter-actions, with a face-to ...[more]

PMID: 22969604

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