2-[(E)-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-[(E)-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
Zhu Shaojuan, Parveen Shagufta, 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 Jun 14;70(Pt 7):o775. doi: 10.1107/S1600536814013245. eCollection 2014 Jul 1.
In the asymmetric unit of the title compound, C17H12F3NO4S, there are two conformationally similar mol-ecules in which the heterocyclic thia-zine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the mol-ecules form dimers through cyclic carb-oxy-lic acid O-H⋯O hydrogen-bonding associations [graph set R (2) 2(8)] and are extended into chains along [101] through weak C-H⋯Osulfin-yl hydrogen bonds [graph set R (2) 2(14)]..
在标题化合物C17H12F3NO4S的不对称单元中，有两个构象相似的分子，其中杂环噻嗪环呈半椅式构象，两个苯环之间的二面角分别为24.84 (8)°和37.42 (8)°。在晶体中，分子通过环状羧酸O-H⋯O氢键缔合形成二聚体[图集R (2) 2(8)]，并通过弱C-H⋯亚磺酰基O氢键[图集R (2) 2(14)]沿[101]方向延伸成链。
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