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1-苄基-3-[(三甲基硅基)甲基]苯并咪唑鎓氯化物一水合物

1-Benzyl-3-[(trimethyl-sil-yl)meth-yl]benzimidazolium chloride monohydrate.

作者信息

Akkurt Mehmet, Celik Ismail, Küçükbay Hasan, Sireci Nihat, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1770-1. doi: 10.1107/S1600536810024128.

Abstract

The title compound, C(18)H(23)N(2)Si(+)·Cl(-)·H(2)O, was synthesized from 1-[(trimethyl-sil-yl)meth-yl]benzimidazole and benzyl chloride in dimethyl-formamide. The benzimidazole ring system is approximately planar, with a maximum deviation of 0.022 (2) Å, and makes an angle of 74.80 (12)° with the phenyl ring. The crystal packing is stabilized by O-H⋯Cl, C-H⋯Cl, C-H⋯O and C-H⋯π inter-actions between symmetry-related mol-ecules together with π-π stacking inter-actions between the imidazolium and benzene rings [centroid-centroid distance = 3.5690 (15) Å] and between the benzene rings [centroid-centroid distance = 3.7223 (14) Å].

摘要

标题化合物C(18)H(23)N(2)Si(+)·Cl(-)·H(2)O是由1-[(三甲基硅基)甲基]苯并咪唑和苄基氯在二甲基甲酰胺中合成的。苯并咪唑环系近似平面,最大偏差为0.022 (2) Å,与苯环形成74.80 (12)°的夹角。晶体堆积通过对称相关分子之间的O-H⋯Cl、C-H⋯Cl、C-H⋯O和C-H⋯π相互作用以及咪唑鎓环与苯环之间的π-π堆积相互作用[质心-质心距离 = 3.5690 (15) Å]和苯环之间的π-π堆积相互作用[质心-质心距离 = 3.7223 (14) Å]得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c6e7/3007035/09c9327fbf92/e-66-o1770-fig1.jpg

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