7-氯-2-乙硫基-6-氟-4-氧代-4H-硫代色烯-3-羧酸甲酯
Methyl 7-chloro-2-ethyl-sulfanyl-6-fluoro-4-oxo-4H-thio-chromene-3-carboxyl-ate.
作者信息
Li Yang, Xiao Tao, Liu Dong-Liang, Yu Guang-Yan
机构信息
Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 27;66(Pt 3):o694. doi: 10.1107/S1600536810002667.
In the title compound, C(13)H(10)ClFO(3)S(2), the two-ring system is essentially planar, the mean plane of the benzene ring being inclined at 6.0 (2)° to the plane of the remaining four atoms. The ethyl-sulfanyl group is almost coplanar with the two rings [dihedral angle = 6.4 (2)°], while the carboxyl-ate group is almost perpendicular to it [dihedral angle = 72.4 (2)°]. In the crystal structure, inter-molecular C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules in a stacked arrangement along the a axis.
在标题化合物C₁₃H₁₀ClFO₃S₂中，双环体系基本呈平面状，苯环的平均平面与其余四个原子的平面呈6.0 (2)°的倾斜角。乙硫基几乎与双环共平面[二面角 = 6.4 (2)°]，而羧酸盐基团几乎与之垂直[二面角 = 72.4 (2)°]。在晶体结构中，分子间的C—H⋯O和C—H⋯F氢键沿a轴以堆积排列的方式连接分子。
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