Crystal structure of 2,4-dinitrophenyl 4-methyl-benzenesulfonate: a new polymorph

被引：3

作者：

Cooley, Tyler A. ^{[1
]}

Riley, Sean ^{[1
]}

Biros, Shannon M. ^{[1
]}

Staples, Richard J. ^{[2
]}

Ngassa, Felix N. ^{[1
]}

机构：

[1] Grand Valley State Univ, Dept Chem, 1 Campus Dr, Allendale, MI 49401 USA

[2] Michigan State Univ, Dept Chem, Ctr Crystallog Res, 578 S Shaw Lane, E Lansing, MI 48824 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

基金：

美国国家科学基金会;

关键词：

crystal structure; aryl sulfonate; pi-pi interactions; C-H center dot center dot center dot O interactions; p-toluene-sulfonyl chloride;

D O I：

10.1107/S2056989015015650

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, C13H10N2O7S, was synthesized via a nucleophilic substitution reaction between 2,4-dinitrophenol and p-toluenesulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembu et al. (2003). Acta Cryst, E59, o378-380]. The aromatic substituents on the sulfonate group are oriented gauche to one another with a C-O-S-C torsion angle of -62.0 (3)degrees. The supramolecular features that contribute to the crystal stability are offset pi-pi[centroid-centroid distance = 3.729 (2) angstrom] and multiple CH center dot center dot center dot O interactions.

引用

页码：1085 / +

页数：9

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