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2,3-二甲氧基-(4-硝基苯基)苯甲酰胺的晶体结构

Crystal structure of 2,3-dimeth-oxy--(4-nitro-phen-yl)benzamide.

作者信息

Yaman Mavişe, Almarhoon Zainab M, Çakmak Şükriye, Kütük Halil, Meral Güngör, Dege Necmi

机构信息

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

Chemistry Department, Science Faculty, King Saud University, Riyadh, Saudi Arabia.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Jan 1;74(Pt 1):41-44. doi: 10.1107/S2056989017017741.

DOI:10.1107/S2056989017017741
PMID:29416888
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5778482/
Abstract

In the title compound, CHNO, the benzene rings are nearly coplanar, making a dihedral angle of 4.89 (8)°. An intra-molecular N-H⋯O hydrogen bond occurs between the imino and meth-oxy groups. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into supra-molecular chains propagating along the axis direction. π-π stacking is observed between parallel benzene rings of neighbouring chains, the centroid-to-centroid distance being 3.6491 (10) Å. Three-dimensional Hirshfeld surface analyses and two-dimensional fingerprint plots have been used to analyse the inter-molecular inter-actions present in the crystal.

摘要

在标题化合物CHNO中,苯环几乎共面,二面角为4.89 (8)°。亚氨基和甲氧基之间存在分子内N-H⋯O氢键。在晶体中,弱C-H⋯O氢键将分子连接成沿轴向延伸的超分子链。在相邻链的平行苯环之间观察到π-π堆积,质心到质心的距离为3.6491 (10) Å。已使用三维 Hirshfeld 表面分析和二维指纹图谱来分析晶体中存在的分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/cd2fe0049e7e/e-74-00041-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/9eb2866a89d8/e-74-00041-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/9f44d9db0383/e-74-00041-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/b2df20fbb0c7/e-74-00041-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/579ead28218f/e-74-00041-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/d9571281189c/e-74-00041-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/cd2fe0049e7e/e-74-00041-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/9eb2866a89d8/e-74-00041-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/9f44d9db0383/e-74-00041-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/b2df20fbb0c7/e-74-00041-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/579ead28218f/e-74-00041-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/d9571281189c/e-74-00041-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1b88/5778482/cd2fe0049e7e/e-74-00041-fig6.jpg

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