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()-1-[2,2-二氯-1-(4-硝基苯基)乙烯基]-2-(4-氟苯基)重氮苯的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of ()-1-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

作者信息

Atioğlu Zeliha, Akkurt Mehmet, Shikhaliyev Namiq Q, Suleymanova Gulnar T, Bagirova Khanim N, 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. 2019 Jan 18;75(Pt 2):237-241. doi: 10.1107/S2056989019000707. eCollection 2019 Feb 1.

DOI:10.1107/S2056989019000707
PMID:30800458
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6362658/
Abstract

In the title compound, CHClFNO, the 4-fluoro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 63.29 (8)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into chains running parallel to the axis. The crystal packing is further stabilized by C-Cl⋯π, C-F⋯π and N-O⋯π inter-actions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯O/O⋯H (15.5%), H⋯H (15.3%), Cl⋯H/H⋯Cl (13.8%), C⋯H/H⋯C (9.5%) and F⋯H/H⋯F (8.2%) inter-actions.

摘要

在标题化合物CHClFNO中,4-氟苯基环与硝基取代的苯环形成的二面角为63.29 (8)°。在晶体中,分子通过C—H⋯O氢键连接成平行于c轴的链。晶体堆积通过C—Cl⋯π、C—F⋯π和N—O⋯π相互作用进一步稳定。晶体结构的 Hirshfeld 表面分析表明,对晶体堆积贡献最大的是H⋯O/O⋯H(15.5%)、H⋯H(15.3%)、Cl⋯H/H⋯Cl(13.8%)、C⋯H/H⋯C(9.5%)和F⋯H/H⋯F(8.2%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/96ca11709a49/e-75-00237-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/37ca0a118193/e-75-00237-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/50df07dc3bc6/e-75-00237-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/b23fac5ea4df/e-75-00237-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/fbba01a107ec/e-75-00237-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/deb9b5fbffc1/e-75-00237-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/96ca11709a49/e-75-00237-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/37ca0a118193/e-75-00237-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/50df07dc3bc6/e-75-00237-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/b23fac5ea4df/e-75-00237-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/fbba01a107ec/e-75-00237-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/deb9b5fbffc1/e-75-00237-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9a0/6362658/96ca11709a49/e-75-00237-fig6.jpg

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