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

ABSTRACT: In the title salt, C(36)H(48)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring makes dihedral angles of 84.77?(9) and 69.92?(7)° with the adjacent imidazole rings. In the crystal, one of the heptyl groups is disordered over two sets of sites with an occupancy ratio of 0.474?(5):0.526?(5). In the crystal, the cations, anions and water mol-ecules are connected via inter-molecular O-H?Br, C-H?Br and C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Haque RA

PROVIDER: S-EPMC3152130 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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

Haque Rosenani A RA Iqbal Muhammad Adnan MA Iqbal Muhammad Adnan MA Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

In the title salt, C(36)H(48)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring makes dihedral angles of 84.77 (9) and 69.92 (7)° with the adjacent imidazole rings. In the crystal, one of the heptyl groups is disordered over two sets of sites with an occupancy ratio of 0.474 (5):0.526 (5). In the crystal, the cations, anions and water mol-ecules are connected via inter-molecular O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 21837184

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