7-氟-2-（2-丙烯-1-基硫烷基）-3-（1H-1,2,4-三唑-1-基）-4H-硫代色烯-4-酮
7-Fluoro-2-(prop-2-en-1-ylsulfan-yl)-3-(1H-1,2,4-triazol-1-yl)-4H-thio-chromen-4-one.
作者信息
Liu Dong-Liang, Xiao Tao, Li Yang, Yu Guang-Yan, Li Chen
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. 2011 Jul 1;67(Pt 7):o1777. doi: 10.1107/S1600536811022665. Epub 2011 Jun 22.
The asymmetric unit of the title compound, C(14)H(10)FN(3)OS(2), contains two independent mol-ecules which differ in the relative orientations of the triazole and allyl-sulfanyl groups with respect to the planar thio-chromen-4-one frameworks. The N-N-C-C torsion angles are 128.2 (5) and -120.9 (5)°, while the C-S-C-S torsion angles are -17.4 (4) and 16.4 (4)°. In the crystal, inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules in a stacked arrangement along the a axis.
标题化合物C(14)H(10)FN(3)OS(2)的不对称单元包含两个独立分子，三唑基和烯丙基硫烷基相对于平面硫代色烯-4-酮骨架的相对取向不同。N-N-C-C扭转角为128.2 (5)°和 -120.9 (5)°，而C-S-C-S扭转角为 -17.4 (4)°和16.4 (4)°。在晶体中，分子间的C-H⋯O和C-H⋯N氢键沿着a轴以堆积排列的方式连接分子。
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