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3-(4-{6-甲基-4-[3-(三氟甲基)苯基]哒嗪-3-基氧基}苯基)丙酸甲酯

Methyl 3-(4-{6-methyl-4-[3-(trifluoro-meth-yl)phen-yl]pyridazin-3-yl-oxy}phen-yl)propanoate.

作者信息

Xiao Yu-Hong, Zhu You-Quan, Zou Xiao-Mao, Hu Fang-Zhong, 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 May 10;64(Pt 6):o1044. doi: 10.1107/S1600536808013342.

Abstract

In the title compound, C(22)H(19)F(3)N(2)O(3), the benzene rings of the trifluoro-methyl-phenyl and benzoyl-phenyl groups form dihedral angles of 41.89 (10) and 67.44 (10)°, respectively, with the pyridazine ring. The methyl-propanoate group is nearly coplanar with the attached benzene ring [dihedral angle = 3.9 (2)°]. The trifluoro-methyl group is disordered over two positions; the site-occupancy factors are ca 0.64 and 0.36. In the crystal structure, inversion-related mol-ecules are linked through C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

摘要

在标题化合物C(22)H(19)F(3)N(2)O(3)中,三氟甲基苯基和苯甲酰苯基的苯环与哒嗪环分别形成41.89 (10)°和67.44 (10)°的二面角。丙酸甲酯基团与相连的苯环几乎共面[二面角 = 3.9 (2)°]。三氟甲基在两个位置上无序;占位因子约为0.64和0.36。在晶体结构中,通过C—H⋯O氢键和C—H⋯π相互作用连接了与反演相关的分子。

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