Acta Crystallographica Section E: Crystallographic Communications | |
Crystal structure of 3,5-dimethylphenyl 2-nitrobenzenesulfonate | |
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
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