<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 4)</volume><submitter>Haque RA</submitter><pubmed_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 π-π stacking inter-actions are also observed [shortest centroid-to-centroid separation = 3.5047 (16) Å].</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o924-5</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3343909</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-octylbenzimidazolium) dibromide monohydrate.</pubmed_title><pmcid>PMC3343909</pmcid><pubmed_authors>Fun HK</pubmed_authors><pubmed_authors>Haque RA</pubmed_authors><pubmed_authors>Iqbal MA</pubmed_authors><pubmed_authors>Arshad S</pubmed_authors></additional><is_claimable>false</is_claimable><name>3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-octylbenzimidazolium) dibromide monohydrate.</name><description>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-to-centroid separation = 3.5047 (16) Å].</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Apr</publication><modification>2025-04-04T09:11:49.91Z</modification><creation>2019-03-27T00:53:03Z</creation></dates><accession>S-EPMC3343909</accession><cross_references><pubmed>22589990</pubmed><doi>10.1107/S1600536812008331</doi></cross_references></HashMap>