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N-(4-甲氧基-苯甲酰基)-2-甲基-苯磺酰胺

N-(4-Meth-oxy-benzo-yl)-2-methyl-benzene-sulfonamide.

作者信息

Sreenivasa S, Palakshamurthy B S, Madankumar S, Lokanath N K, Suchetan P A

机构信息

Department of Studies and Research in Chemistry, Tumkur University, Tumkur, Karnataka 572 103, India.

Department of Studies and Research in Physics, U.C.S., Tumkur University, Tumkur, Karnataka 572 103, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 22;70(Pt 2):o193. doi: 10.1107/S1600536814001354. eCollection 2014 Feb 1.

DOI:10.1107/S1600536814001354
PMID:24764904
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998343/
Abstract

In the title compound, C15H15NO4S, the dihedral angle between the aromatic rings is 80.81 (1)° and the dihedral angle between the planes defined by the S-N-C=O fragment and the sulfonyl benzene ring is 86.34 (1)°. In the extended structure, dimers related by a crystallographic twofold axis are connected by pairs of both N-H⋯O hydrogen bonds and C-H⋯O inter-actions, which generate R 2 (2)(8) and R 2 (2)(14) loops, respectively. A weak aromatic π-π stacking inter-action is also observed [centroid-centroid separation = 3.7305 (3) Å].

摘要

在标题化合物C₁₅H₁₅NO₄S中,芳环之间的二面角为80.81 (1)°,由S-N-C=O片段和磺酰苯环所定义平面之间的二面角为86.34 (1)°。在扩展结构中,由晶体学二重轴相关的二聚体通过N-H⋯O氢键对和C-H⋯O相互作用相连,分别形成R₂²(8)和R₂²(14)环。还观察到一个弱的芳香π-π堆积相互作用[质心-质心间距 = 3.7305 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42e1/3998343/be7024de5228/e-70-0o193-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42e1/3998343/637be3cca86b/e-70-0o193-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42e1/3998343/3e8c24bfcce9/e-70-0o193-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42e1/3998343/be7024de5228/e-70-0o193-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42e1/3998343/637be3cca86b/e-70-0o193-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42e1/3998343/3e8c24bfcce9/e-70-0o193-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/42e1/3998343/be7024de5228/e-70-0o193-fig3.jpg

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