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1,3-双(3-苯基丙基)-1H-苯并咪唑-3-鎓-2-碳二硫代酸盐

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

作者信息

Akkurt Mehmet, Yılmaz Ulkü, Küçükbay Hasan, Gençaslan Mustafa, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 20;65(Pt 1):o174-5. doi: 10.1107/S1600536808042761.

DOI:10.1107/S1600536808042761
PMID:21581631
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968085/
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.

摘要

标题化合物C(26)H(26)N(2)S(2)由双-[1,3-双-(3-苯基丙基)苯并咪唑啉-2-亚基]和CS(2)在甲苯中合成。分子结构由一个苯并咪唑环系组成,该环系在2位带有两个苯丙基取代基和一个二硫代羧酸酯基团。苯并咪唑单元基本呈平面状,最大原子偏差为0.008 (2) Å,与两个苯环的二面角分别为72.72 (10)°和27.62 (12)°。两个苯环之间的二面角为55.98 (15)°。分子堆积通过分子间C-H⋯S氢键相互作用以及苯H原子与相邻分子苯环之间的C-H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b57a/2968085/bf8cd573889a/e-65-0o174-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b57a/2968085/bf8cd573889a/e-65-0o174-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b57a/2968085/bf8cd573889a/e-65-0o174-fig1.jpg

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