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1,2-二(对甲苯磺酰胺基)乙烷的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of ,'-[ethane-1,2-diylbis(-oxy)]bis-(4-methyl-benzene-sulfonamide).

作者信息

Meral Seher, Kansiz Sevgi, Dege Necmi, Alaman Agar Aysen, Tsapyuk Galyna G

机构信息

Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Chemistry, 55139, Samsun, Turkey.

Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Jan 1;75(Pt 1):81-85. doi: 10.1107/S2056989018017437.

DOI:10.1107/S2056989018017437
PMID:30713739
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6323888/
Abstract

In the mol-ecule of the title compound, CHNOS, the mid-point of the C-C bond of the central ethane moiety is located on a twofold rotation axis. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the [101] direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (43.1%), O⋯H/H⋯O (40.9%), C⋯H/H⋯C (8.8%) and C⋯C (5.5%) inter-actions.

摘要

在标题化合物CHNOS的分子中,中心乙烷部分的C-C键中点位于一个二重旋转轴上。在晶体中,分子通过N-H⋯O氢键连接成沿[101]方向延伸的超分子链。 Hirshfeld表面分析和二维指纹图谱表明,对晶体堆积贡献最大的是H⋯H(43.1%)、O⋯H/H⋯O(40.9%)、C⋯H/H⋯C(8.8%)和C⋯C(5.5%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/ba2de583d80e/e-75-00081-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/313502a3e4f7/e-75-00081-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/4e02caf22e6f/e-75-00081-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/5832f95ac16d/e-75-00081-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/cc569e0d404b/e-75-00081-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/093030dad9bb/e-75-00081-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/a782790b87a0/e-75-00081-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/34921ceb675d/e-75-00081-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/ba2de583d80e/e-75-00081-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/313502a3e4f7/e-75-00081-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/4e02caf22e6f/e-75-00081-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/5832f95ac16d/e-75-00081-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/cc569e0d404b/e-75-00081-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/093030dad9bb/e-75-00081-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/a782790b87a0/e-75-00081-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/34921ceb675d/e-75-00081-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd06/6323888/ba2de583d80e/e-75-00081-fig8.jpg

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