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2,4-二甲基-N-苯基苯磺酰胺

2,4-Dimethyl-N-phenyl-benzene-sulfonamide.

作者信息

Gowda B Thimme, Foro Sabine, Nirmala P G, Babitha K S, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 21;65(Pt 3):o576. doi: 10.1107/S160053680900573X.

DOI:10.1107/S160053680900573X
PMID:21582231
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968648/
Abstract

The asymmetric unit of the crystal structure of the title compound, C(14)H(15)NO(2)S, contains two mol-ecules. The conformations of the N-C bonds in the C-SO(2)-NH-C segments of the structure have trans and gauche torsion angles with the S=O bonds. Furthermore, the torsion angles of the C-SO(2)-NH-C groups in the two mol-ecules are 46.1 (3) (glide image of mol-ecule 1) and 47.7 (3)° (mol-ecule 2). The ortho-methyl groups in the sulfonyl benzene ring are oriented away from the S=O bonds. The two benzene rings are tilted relative to each other by 67.5 (1) and 72.9 (1)° in the two mol-ecules. N-H⋯O and C-H⋯O hydrogen bonds pack the mol-ecules into one-dimensional chains in different directions, resulting in a two-dimensional network.

摘要

标题化合物C(14)H(15)NO(2)S的晶体结构不对称单元包含两个分子。结构中C-SO(2)-NH-C片段内N-C键的构象与S=O键具有反式和顺式扭转角。此外,两个分子中C-SO(2)-NH-C基团的扭转角分别为46.1 (3)°(分子1的滑移映象)和47.7 (3)°(分子2)。磺酰苯环上的邻甲基远离S=O键。两个苯环在两个分子中彼此倾斜67.5 (1)°和72.9 (1)°。N-H⋯O和C-H⋯O氢键将分子沿不同方向堆积成一维链,形成二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36d5/2968648/a08601515b22/e-65-0o576-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36d5/2968648/c588dcab7f2f/e-65-0o576-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36d5/2968648/a08601515b22/e-65-0o576-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36d5/2968648/c588dcab7f2f/e-65-0o576-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36d5/2968648/a08601515b22/e-65-0o576-fig2.jpg

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