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3,3′-[1,2-Phenyl­enebis(methyl­ene)]bis­(1-octylbenzimidazolium) dibromide monohydrate

By Rosenani A. Haque, Muhammad Adnan Iqbal, Hoong-Kun Fun and Suhana Arshad

Abstract

In the title hydrated mol­ecular salt, C38H52N4 2+·2Br−·H2O, 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 inter­actions are also observed [shortest centroid-to-centroid separation = 3.5047 (16) Å]

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3343909
Provided by: PubMed Central
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    Citations

    1. (2009). Acta Cryst. D65, 148–155. organic compounds Acta Cryst.
    2. (2011). and angles are comparable to the related structure
    3. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) xy z U iso*/Ueq

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