<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>65(Pt 1)</volume><submitter>Akkurt M</submitter><pubmed_abstract>The title compound, C(26)H(26)N(2)S(2), was synthesized from bis-[1,3-bis-(3-phenyl-prop-yl)benzimidazolidine-2-yl-idene] and CS(2) in toluene. The mol-ecular structure is composed of a benzimidazole ring system with two phenyl-propyl substituents and a dithio-carboxyl-ate group in the 2-position. The benzimidazole unit is essentially planar, with a maximum atomic deviation of 0.008 (2) Å, and makes dihedral angles of 72.72 (10) and 27.62 (12)°, with the two phenyl rings. The dihedral angle between the two phenyl rings is 55.98 (15)°. The mol-ecular packing is stabilized by a C-H⋯S inter-molecular hydrogen-bonding inter-action and a C-H⋯π inter-action between a benzene H atom and the phenyl ring of a neighbouring mol-ecule.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o174-5</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2968085</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>1,3-Bis(3-phenyl-prop-yl)-1H-benzimidazol-3-ium-2-carbodithio-ate.</pubmed_title><pmcid>PMC2968085</pmcid><pubmed_authors>Akkurt M</pubmed_authors><pubmed_authors>Kucukbay H</pubmed_authors><pubmed_authors>Buyukgungor O</pubmed_authors><pubmed_authors>Yılmaz U</pubmed_authors><pubmed_authors>Gencaslan M</pubmed_authors></additional><is_claimable>false</is_claimable><name>1,3-Bis(3-phenyl-prop-yl)-1H-benzimidazol-3-ium-2-carbodithio-ate.</name><description>The title compound, C(26)H(26)N(2)S(2), was synthesized from bis-[1,3-bis-(3-phenyl-prop-yl)benzimidazolidine-2-yl-idene] and CS(2) in toluene. The mol-ecular structure is composed of a benzimidazole ring system with two phenyl-propyl substituents and a dithio-carboxyl-ate group in the 2-position. The benzimidazole unit is essentially planar, with a maximum atomic deviation of 0.008 (2) Å, and makes dihedral angles of 72.72 (10) and 27.62 (12)°, with the two phenyl rings. The dihedral angle between the two phenyl rings is 55.98 (15)°. The mol-ecular packing is stabilized by a C-H⋯S inter-molecular hydrogen-bonding inter-action and a C-H⋯π inter-action between a benzene H atom and the phenyl ring of a neighbouring mol-ecule.</description><dates><release>2008-01-01T00:00:00Z</release><publication>2008 Dec</publication><modification>2025-04-18T14:09:57.06Z</modification><creation>2019-03-27T00:00:04Z</creation></dates><accession>S-EPMC2968085</accession><cross_references><pubmed>21581631</pubmed><doi>10.1107/S1600536808042761</doi></cross_references></HashMap>