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2-甲基-N-(4-硝基苯甲酰基)苯磺酰胺

2-Methyl-N-(4-nitro-benzo-yl)benzene-sulfonamide.

作者信息

Suchetan P A, Foro Sabine, Gowda B Thimme

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o929. doi: 10.1107/S1600536811009846. Epub 2011 Mar 19.

DOI:10.1107/S1600536811009846
PMID:21754199
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3100055/
Abstract

In the title compound, C(14)H(12)N(2)O(5)S, the conformation of the N-C bond in the C-SO(2)-NH-C(O) segment has gauche torsions with respect to the S=O bonds. The mol-ecule is twisted at the S atom, the C-S(O(2))-NH-C(O) torsion angle being 61.8 (5)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 86.8 (2)° and that between the sulfonyl and the benzoyl benzene rings is 83.8 (2)°. In the crystal, mol-ecules are linked into zigzag chains along the a axis via N-H⋯O hydrogen bonds.

摘要

在标题化合物C(14)H(12)N(2)O(5)S中,C-SO₂-NH-C(O)片段中N-C键的构象相对于S=O键具有gauche扭转。分子在S原子处发生扭曲,C-S(O₂)-NH-C(O)扭转角为61.8 (5)°。磺酰基苯环与-SO₂-NH-C-O片段之间的二面角为86.8 (2)°,磺酰基苯环与苯甲酰基苯环之间的二面角为83.8 (2)°。在晶体中,分子通过N-H⋯O氢键沿a轴连接成锯齿链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af75/3100055/f86b5881fecb/e-67-0o929-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af75/3100055/9328ce198c50/e-67-0o929-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af75/3100055/f86b5881fecb/e-67-0o929-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af75/3100055/9328ce198c50/e-67-0o929-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af75/3100055/f86b5881fecb/e-67-0o929-fig2.jpg

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