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N-(2,3-二甲基苯基)-2-硝基苯磺酰胺

N-(2,3-Dimethyl-phen-yl)-2-nitro-benzene-sulfonamide.

作者信息

Chaithanya U, Foro Sabine, Gowda B Thimme

机构信息

Department of Chemistry, Mangalore University, Mangalagangotri 574 199, Mangalore, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3188. doi: 10.1107/S1600536812042845. Epub 2012 Oct 20.

Abstract

There are two independent mol-ecules in the asymmetric unit of the title compound, C(14)H(14)N(2)O(4)S. The N-H bonds are syn to the ortho-nitro groups in the sulfonyl benzene rings and anti to the methyl groups in the aniline benzene rings. The mol-ecules are twisted at the S-N bonds with torsion angles of -60.4 (3) and 58.8 (3)° in the two mol-ecules. The dihedral angles between the planes of the sulfonyl and the anilino benzene rings are 53.67 (8) and 56.99 (9)°. The amide H atoms of both mol-ecules are involved in an intra-molecular hydrogen bond, generating an S(7) motif. In the crystal, pairs of N-H⋯O(S) hydrogen bonds link like mol-ecules into inversion dimers.

摘要

标题化合物C(14)H(14)N(2)O(4)S的不对称单元中有两个独立的分子。N-H键与磺酰苯环中的邻硝基基团呈顺式,与苯胺苯环中的甲基呈反式。分子在S-N键处发生扭曲,两个分子中的扭转角分别为-60.4 (3)°和58.8 (3)°。磺酰苯环和苯胺苯环平面之间的二面角分别为53.67 (8)°和56.99 (9)°。两个分子的酰胺H原子均参与分子内氢键,形成S(7)基序。在晶体中,N-H⋯O(S)氢键对将同类分子连接成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2434/3515279/16aa1ac83b10/e-68-o3188-fig1.jpg

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