Crystal structure of 3,5-di­methyl­phenyl 2-nitro­benzene­sulfonate

Acta Crystallographica Section E: Crystallographic Communications

Staples, R.J.¹  Atanasova, T.P.²  Biros, S.M.²  Riley, S.²  Ngassa, F.N.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;    NITROBENZENESULFONATE;    N(NITRO)...O INTERACTIONS;    C-H...O INTERACTIONS;    [PI]-[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989015015078

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C14H13NO5S, was synthesized via a nucleophilic substitution reaction between 3,5-di­methyl­phenol and 2-nitro­benzene­sulfonyl chloride. The aromatic rings attached to the SO3 group are oriented in a gauche fashion around the ester S—O bond, with a C—S—O—C torsion angle of 84.68 (11)°. The mol­ecules form centrosymmetric dimers via π–π stacking inter­actions between 3,5-di­methyl­phenyl groups (centroid–centroid distance = 3.709 Å). An inter­molecular S=O⋯N inter­action between the sulfonyl and nitro groups, with an O⋯N distance of 2.9840 (18) Å, organizes the dimers into columns extending along [011]. These columns are further assembled into (111) layers through C—H⋯O inter­actions.

【 授权许可】

CC BY