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

ABSTRACT: In the title hydrated mol-ecular salt, C(38)H(52)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47?(13) and 72.69?(12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O-H?Br, C-H?Br and C-H?O hydrogen bonds into a two-dimensional network lying parallel to the ac plane. Aromatic ?-? stacking inter-actions are also observed [shortest centroid-to-centroid separation = 3.5047?(16)?Å].

SUBMITTER: Haque RA

PROVIDER: S-EPMC3343909 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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

Haque Rosenani A RA Iqbal Muhammad Adnan MA Iqbal Muhammad Adnan MA Fun Hoong-Kun HK Arshad Suhana S

Acta crystallographica. Section E, Structure reports online 20120303 Pt 4

In the title hydrated mol-ecular salt, C(38)H(52)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds into a two-dimensional network lying parallel to the ac plane. Aromatic π-π stacking inter-actions are also observed [shortest centroid-t ...[more]

PMID: 22589990

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