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1,3-Bis(3-phenyl-prop-yl)-1H-benzimidazol-3-ium-2-carbodithio-ate.


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.

SUBMITTER: Akkurt M 

PROVIDER: S-EPMC2968085 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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1,3-Bis(3-phenyl-prop-yl)-1H-benzimidazol-3-ium-2-carbodithio-ate.

Akkurt Mehmet M   Yılmaz Ulkü U   Küçükbay Hasan H   Gençaslan Mustafa M   Büyükgüngör Orhan O  

Acta crystallographica. Section E, Structure reports online 20081220 Pt 1


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 betw  ...[more]

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