4-[3-(三氟甲基)苯基]-5,6,7,8-四氢噌啉-3(2H)-酮
4-[3-(Trifluoro-meth-yl)phen-yl]-5,6,7,8-tetra-hydro-cinnolin-3(2H)-one.
作者信息
Wang Xin, Zou Xiao-Mao, Zhu You-Quan, Hu Xu-Hong, Yang Hua-Zheng
机构信息
State Key Laboratory and Institute of Elemento-Organic Chemistry, Nankai University, Tianjin 300071, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 18;64(Pt 2):o464. doi: 10.1107/S1600536808000871.
The title compound, C(15)H(13)F(3)N(2)O, contains one benzene ring, one cyclo-hexane ring and a pyridazine ring. The dihedral angle formed by the pyridazine ring with the benzene ring is 61.5 (2)°. The crystal structure is stabilized by two inter-molecular hydrogen bonds (N-H⋯O and C-H⋯F). The cyclohexane ring adopts a screw-boat conformation. The CF(3) group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.
标题化合物C(15)H(13)F(3)N(2)O包含一个苯环、一个环己烷环和一个哒嗪环。哒嗪环与苯环形成的二面角为61.5 (2)°。晶体结构通过两个分子间氢键（N-H⋯O和C-H⋯F）得以稳定。环己烷环呈扭船构象。CF(3)基团在两个位置上无序；位点占有率因子约为0.6和0.4。
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