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N-(2,3-二甲基苯基)-4-羟基-2-甲基-2H-1,2-苯并噻嗪-3-甲酰胺 1,1-二氧化物

N-(2,3-Dimethyl-phen-yl)-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

作者信息

Siddiqui Waseeq Ahmad, Bukahari Iftikhar Hussain, Zia-Ur-Rehman Muhammad, Khan Islam Ullah, Tizzard Graham John

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):o644-5. doi: 10.1107/S1600536809006837.

Abstract

In the crystal structure of the title compound, C(18)H(18)N(2)O(4)S, the thia-zine ring adopts a distorted half-chair conformation. 1,2-Benzothia-zines of this kind have a wide range of biological activities and are mainly used as medicines in the treatment of inflammation and rheumatoid arthritis. The enolic H atom is involved in an intra-molecular O-H⋯O hydrogen bond, forming a six-membered ring. The mol-ecules arrange themselves into centrosymmetric dimers by means of inter-molecular N-H⋯O hydrogen bonds. A weak inter-molcular C-H⋯O inter-action is also present.

摘要

在标题化合物C(18)H(18)N(2)O(4)S的晶体结构中,噻嗪环呈扭曲的半椅构象。这类1,2-苯并噻嗪具有广泛的生物活性,主要用作治疗炎症和类风湿性关节炎的药物。烯醇式H原子参与分子内O-H⋯O氢键,形成一个六元环。分子通过分子间N-H⋯O氢键排列成中心对称的二聚体。还存在一个弱的分子间C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c556/2968491/dc3d641c099a/e-65-0o644-fig1.jpg

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