2-[(E)-3-苯基-2-丙烯基]-1,2-苯并异噻唑-3(2H)-酮 1,1-二氧化物
2-[(E)-3-Phenyl-prop-2-en-yl]-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.
作者信息
Arshad Muhammad Nadeem, Mubashar-Ur-Rehman Hafiz, Zia-Ur-Rehman Muhammad, Khan Islam Ullah, Shafique Muhammad
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):o1011. doi: 10.1107/S1600536809012999.
Abstract
In the crystal structure of the title compound, C(16)H(13)NO(3)S, the benzisothia-zole group is almost planar (r.m.s. deviation for all non-H atoms excluding the two O atoms bonded to S = 0.009 Å). The dihedral angle between the fused ring and the terminal ring is 13.8 (1)°. In the crystal, mol-ecules are linked through inter-molecular C-H⋯O contacts forming a chain of mol-ecules along b.
摘要
在标题化合物C(16)H(13)NO(3)S的晶体结构中，苯并异噻唑基团几乎是平面的（除与S相连的两个O原子外，所有非H原子的均方根偏差 = 0.009 Å）。稠合环与末端环之间的二面角为13.8 (1)°。在晶体中，分子通过分子间C—H⋯O接触相连，沿b轴形成分子链。
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