3-烯丙基-1-(3-氰基-苯基亚甲基)-2-甲基-1H-苯并咪唑-3-鎓溴化物一水合物
3-Allyl-1-(3-cyano-phenyl-methyl-ene)-2-methyl-1H-benzoimidazol-3-ium bromide monohydrate.
作者信息
Xu Xiong-Bin, Fu Rong, Ye Qiong
机构信息
Ordered Matter Science Research Center, Southeast University, Nanjing 210096, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o109. doi: 10.1107/S1600536807061867.
In the title compound, C(19)H(18)N(3) (+)·Br(-)·H(2)O, the dihedral angle between the allyl group and the imidazole ring is 89.59 (14)°, while the dihedral angle between the cyanophenyl ring and the imidazole ring is 78.72 (7)°. O-H⋯Br hydrogen bonds form an infinite chain in the c-axis direction and C-H⋯Br and C-H⋯O inter-actions expand this chain into an infinite three-dimensional network.
在标题化合物C(19)H(18)N(3)(+)·Br(-)·H(2)O中，烯丙基与咪唑环之间的二面角为89.59 (14)°，而氰基苯基环与咪唑环之间的二面角为78.72 (7)°。O-H⋯Br氢键在c轴方向形成无限链，C-H⋯Br和C-H⋯O相互作用将此链扩展为无限的三维网络。
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