{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 1)"],"submitter":["Akkurt M"],"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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o174-5"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2968085"],"repository":["biostudies-literature"],"pubmed_title":["1,3-Bis(3-phenyl-prop-yl)-1H-benzimidazol-3-ium-2-carbodithio-ate."],"pmcid":["PMC2968085"],"pubmed_authors":["Akkurt M","Kucukbay H","Buyukgungor O","Yılmaz U","Gencaslan M"],"additional_accession":[]},"is_claimable":false,"name":"1,3-Bis(3-phenyl-prop-yl)-1H-benzimidazol-3-ium-2-carbodithio-ate.","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.","dates":{"release":"2008-01-01T00:00:00Z","publication":"2008 Dec","modification":"2025-04-18T14:09:57.06Z","creation":"2019-03-27T00:00:04Z"},"accession":"S-EPMC2968085","cross_references":{"pubmed":["21581631"],"doi":["10.1107/S1600536808042761"]}}