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

Acta Crystallographica Section E: Crystallographic Communications

Staples, R.J.¹  Biros, S.M.²  Riley, S.²  Ngassa, F.N.²  Cooley, T.A.² 

[1] Center for Crystallographic Research, Department of Chemistry, Michigan State University, 578 S. Shaw Lane, East Lansing, MI, 48824, USA;Department of Chemistry, Grand Valley State University, 1 Campus Dr., Allendale, MI 49401, USA

关键词: CRYSTAL STRUCTURE;    ARYL SULFONATE;    [PI]-[PI] INTERACTIONS;    C-H...O INTERACTIONS;    P-TOLUENESULFONYL CHLORIDE;   

DOI  :  10.1107/S2056989015015650

学科分类：数学（综合）

来源: International Union of Crystallography

【 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)°. The supra­molecular features that contribute to the crystal stability are offset π–π [centroid–centroid distance = 3.729 (2) Å] and multiple C—H⋯O inter­actions.

【 授权许可】

CC BY