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3-氧代-2,3-二氢-1,2-苯并噻唑-2-羧酸丙酯

Propyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

作者信息

Wang Xiang-Hui, Yang Jian-Xin, You Cheng-Hang, Lin Qiang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2237. doi: 10.1107/S1600536811028613. Epub 2011 Aug 2.

DOI:10.1107/S1600536811028613
PMID:22065833
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200959/
Abstract

The title compound, C(11)H(11)NO(3)S, was synthesized by the reaction of benzo[d]isothia-zol-3(2H)-one with propyl carbono-chloridate in toluene. The benzoisothiazolone ring system is approximately planar with a maximum deviation from the mean plane of 0.0226 (14) Å for the N atom. Weak inter-molecular C-H⋯O hydrogen bonding occurs in the crystal structure.

摘要

标题化合物C(11)H(11)NO(3)S是通过苯并[d]异噻唑-3(2H)-酮与丙基氯甲酸酯在甲苯中反应合成的。苯并异噻唑酮环系近似平面，N原子与平均平面的最大偏差为0.0226(14)Å。晶体结构中存在弱的分子间C-H⋯O氢键。

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