1-{[二甲基（苯基）硅基]甲基}-3-（2-苯乙基）-1H-苯并咪唑-3-鎓溴化物一水合物
1-{[Dimeth-yl(phen-yl)sil-yl]meth-yl}-3-(2-phenyl-eth-yl)-1H-benzimidazol-3-ium bromide monohydrate.
作者信息
Akkurt Mehmet, Küçükbay Hasan, Sireci Nihat, Büyükgüngör Orhan
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2718-9. doi: 10.1107/S1600536812034915. Epub 2012 Aug 15.
Abstract
The title compound, C(24)H(27)N(2)Si(+)·Br(-)·H(2)O, was synthesized from 1-(dimethyl-phenyl-silylmeth-yl)-1H-benzimidazole and (2-bromo-eth-yl)benzene in dimethyl-formamide. The benzimidazole ring system is nearly planar, with a maximum deviation of 0.015 (5) Å, and forms dihedral angles of 73.0 (3) and 39.6 (2)°, with the phenyl rings. In the crystal, mol-ecules are linked by O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds. In addition, the structure features π-π stacking inter-actions, with a face-to-face separation of 3.644 (3) Å between parallel benzimidazole ring systems.
摘要
标题化合物C(24)H(27)N(2)Si(+)·Br(-)·H(2)O是由1-(二甲基-苯基-硅基甲基)-1H-苯并咪唑和(2-溴乙基)苯在二甲基甲酰胺中合成的。苯并咪唑环系近乎平面，最大偏差为0.015 (5) Å，与苯环形成的二面角分别为73.0 (3)°和39.6 (2)°。在晶体中，分子通过O-H⋯Br、C-H⋯Br和C-H⋯O氢键相连。此外，该结构具有π-π堆积相互作用，平行的苯并咪唑环系之间的面对面间距为3.644 (3) Å。
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