2-[(Z)-1,1-二氧代-2-(2,4,5-三氟苄基)-3,4-二氢-2H-1,2-苯并噻嗪-4-亚基]乙酸
2-[(Z)-1,1-Dioxo-2-(2,4,5-tri-fluoro-benz-yl)-3,4-di-hydro-2H-1,2-benzo-thia-zin-4-yl-idene]acetic acid.
作者信息
Parveen Shagufta, Hussain Saghir, Zhu Shaojuan, Hao Xin, Zhu Changjin
机构信息
School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 May 3;70(Pt 6):o627. doi: 10.1107/S1600536814008903. eCollection 2014 Jun 1.
In the title compound, C17H12F3NO4S, the heterocyclic thia-zine ring adopts a half-chair conformation and the dihedral angle between the benzene rings is 43.28 (9)°. The α,β-unsaturated C=C group is inclined at an angle of 21.0 (3)° to the benzene ring of the benzo-thia-zine moiety. In the crystal, inversion dimers linked by pairs of carb-oxy-lic acid O-H⋯O hydrogen bonds generate R 2 (2)(8) loops. Each of the F atoms accepts a Ca-H⋯F (a = aromatic) hydrogen bond from an adjacent mol-ecule, resulting in (001) sheets.
在标题化合物C₁₇H₁₂F₃NO₄S中，杂环噻嗪环呈半椅式构象，苯环之间的二面角为43.28 (9)°。α,β-不饱和C=C基团与苯并噻嗪部分的苯环呈21.0 (3)°的倾斜角。在晶体中，由羧酸O—H⋯O氢键对连接的反演二聚体形成R₂²(8)环。每个F原子接受来自相邻分子的C—H⋯F（a = 芳香）氢键，形成(001)层。
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