7-Methyl-5-[(4-methyl­benzene)­sulfon­yl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis

Ali A.; Zukerman-Schpector J.; Weber Paixo M.; Jotani M.M.; Tiekink E.R.T.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis

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7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis

机译：7-甲基-5-[（4-甲基苯）磺酰基] -2H，5H- [1,3] dioxolo [4,5-f]吲哚：晶体结构和Hirshfeld分析

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In the title indole derivative, C17H15NO4S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 Å] and is effectively perpendicular to the appended 4-tolyl ring, forming a dihedral angle of 89.95 (6)°. Overall, the molecule has the shape of the letter L. In the crystal, supramolecular layers in the ab plane are formed via weak 4-tolyl-C—H⋯π(C6-ring of indole) and S—O⋯π(1,3-dioxole) contacts. The aforementioned interactions along with interatomic H⋯H and H⋯O contacts are all shown to make significant contributions to the calculated Hirshfeld surfaces.

机译：在标题的吲哚衍生物C17H15NO4S中，稠合的二恶唑-吲哚体系基本上是平面的[r.m.s. 12个拟合原子的偏差= 0.0249Å]，并且实际上垂直于附加的4-甲苯基环，形成89.95（6）°的二面角。总体而言，该分子的形状为字母L。在晶体中，ab平面中的超分子层是通过弱的4-tolyl-C-H⋯π（吲哚的C6-环）和S-O⋯π（1 ，3-dioxole）触点。前述相互作用以及原子间H⋯H和H⋯O接触都显示出对计算的Hirshfeld表面的重要贡献。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2018年第2期|共5页
作者
Ali A.; Zukerman-Schpector J.; Weber Paixo M.; Jotani M.M.; Tiekink E.R.T.;
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中图分类晶体学;
关键词
CRYSTAL STRUCTUREINDOLE1,3-DIOXOLEHIRSHFELD SURFACE ANALYSIS;

机译：晶体结构吲哚1,3-二恶唑脂族表面分析;

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机译：7-甲基-5-（4-甲基苯）磺酰基 -2H，5H- 1,3 dioxolo 4,5-f吲哚：晶体结构和Hirshfeld分析

7-Methyl-5-[(4-methyl­benzene)­sulfon­yl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis

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7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis