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4-{2,2-二氯-1-[（E）-（4-氯苯基）重氮基]乙烯基}-N,N-二甲基苯胺的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 4-{2,2-di-chloro-1-[()-(4-chloro-phen-yl)diazen-yl]ethen-yl}-,-di-methyl-aniline.

作者信息

Atioğlu Zeliha, Akkurt Mehmet, Shikhaliyev Namiq Q, Mukhtarova Sevinc H, Suleymanova Gulnar T, Toze Flavien A A

机构信息

İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Jun 9;76(Pt 7):1033-1037. doi: 10.1107/S2056989020007549. eCollection 2020 Jul 1.

DOI:10.1107/S2056989020007549
PMID:32695447
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7336775/
Abstract

The title compound, CHClN, comprises three mol-ecules of similar shape in the asymmetric unit. The crystal cohesion is ensured by inter-molecular C-H⋯N and C-H⋯Cl hydrogen bonds in addition to C-Cl⋯π inter-actions. Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that Cl⋯H/H⋯Cl (33.6%), H⋯H (27.9%) and C⋯H/H⋯C (17.6%) are the most important contributors towards the crystal packing.

摘要

标题化合物CHClN在不对称单元中包含三个形状相似的分子。除了C-Cl⋯π相互作用外，分子间的C-H⋯N和C-H⋯Cl氢键确保了晶体的凝聚性。 Hirshfeld表面分析和二维指纹图谱表明，Cl⋯H/H⋯Cl（33.6%）、H⋯H（27.9%）和C⋯H/H⋯C（17.6%）是对晶体堆积贡献最大的相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/802b2973c176/e-76-01033-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/b00980f1ac8f/e-76-01033-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/e41f74d9b248/e-76-01033-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/5c394d3c819b/e-76-01033-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/d46af1d14e47/e-76-01033-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/802b2973c176/e-76-01033-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/b00980f1ac8f/e-76-01033-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/e41f74d9b248/e-76-01033-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/5c394d3c819b/e-76-01033-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/d46af1d14e47/e-76-01033-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1675/7336775/802b2973c176/e-76-01033-fig5.jpg

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