title: Crystal structure of 2,4-di-nitro-phenyl 4-methyl-benzene-sulfonate: a new polymorph.
abstract: The title compound, C13H10N2O7S, was synthesized via a nucleophilic substitution reaction between 2,4-di-nitro-phenol and p-toluene-sulfonyl 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 supra-molecular features that contribute to the crystal stability are offset π-π [centroid-centroid distance = 3.729 (2) Å] and multiple C-H⋯O inter-actions.
authors.affiliation: Department of Chemistry, Grand Valley State University, 1 Campus Dr., Allendale, MI 49401, USA.
authors.forename: Tyler A
authors.initials: TA
authors.lastname: Cooley
authors.affiliation: Department of Chemistry, Grand Valley State University, 1 Campus Dr., Allendale, MI 49401, USA.
authors.forename: Sean
authors.initials: S
authors.lastname: Riley
authors.affiliation: Department of Chemistry, Grand Valley State University, 1 Campus Dr., Allendale, MI 49401, USA.
authors.forename: Shannon M
authors.initials: SM
authors.lastname: Biros
authors.affiliation: Center for Crystallographic Research, Department of Chemistry, Michigan State University, 578 S. Shaw Lane, East Lansing, MI, 48824, USA.
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Staples
authors.affiliation: Department of Chemistry, Grand Valley State University, 1 Campus Dr., Allendale, MI 49401, USA.
authors.forename: Felix N
authors.initials: FN
authors.lastname: Ngassa
keywords: C—H⋯O inter­actions; aryl sulfonate; crystal structure; p-toluene­sulfonyl chloride; π–π inter­actions