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()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-苯基重氮烯、()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(4-甲基苯基)重氮烯、()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(4-甲氧基苯基)重氮烯和()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(3-甲基苯基)重氮烯的晶体结构与 Hirshfeld 表面分析

Crystal structures and Hirshfeld surface analyses of ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene.

作者信息

Maharramov Abel, Shikhaliyev Namiq Q, Qajar Ayten, Atakishiyeva Gulnar T, Niyazova Ayten, Khrustalev Victor N, Akkurt Mehmet, Yıldırım Sema Öztürk, Bhattarai Ajaya

机构信息

Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan.

Department of Engineering and Applied Sciences, Azerbaijan State University of Economics, M. Mukhtarov 194, Baku AZ1001, Azerbaijan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Jun 13;79(Pt 7):637-643. doi: 10.1107/S205698902300511X. eCollection 2023 Jun 1.

Abstract

The crystal structures and Hirshfeld surface analyses of four similar azo compounds are reported. ()-1-[1-(4--Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, CHClN, (), and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, CHClN, (), crystallize in the monoclinic space group 2/ with = 8, and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene, CHClNO, (), in the monoclinic space group 2/ with = 4. ()-1-[1-(4--Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene, CHClN, (), crystallizes in the triclinic space group with = 4 and comprises two mol-ecules ( and ) in the asymmetric unit. In the crystal structures of () and (), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming layers parallel to (02), while mol-ecules of () are linked by C-H⋯O contacts, C-H⋯π and C-Cl⋯π inter-actions forming layers parallel to (02). The stability of the mol-ecular packing is ensured by van der Waals forces between these layers. In the crystal structure of (), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming a tri-periodic network.

摘要

报道了四种类似偶氮化合物的晶体结构和 Hirshfeld 表面分析。()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-苯基重氮烯,CHClN,(),以及()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(4-甲基苯基)重氮烯,CHClN,(),结晶于单斜空间群 2/,Z = 8,而()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(4-甲氧基苯基)重氮烯,CHClNO,(),结晶于单斜空间群 2/,Z = 4。()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(3-甲基苯基)重氮烯,CHClN,(),结晶于三斜空间群 ,Z = 4,且不对称单元中包含两个分子( 和 )。在()和()的晶体结构中,分子通过 C-H⋯π 和 C-Cl⋯π 相互作用相连,形成平行于(02)的层,而()的分子通过 C-H⋯O 接触、C-H⋯π 和 C-Cl⋯π 相互作用相连,形成平行于(02)的层。这些层之间的范德华力确保了分子堆积的稳定性。在()的晶体结构中,分子通过 C-H⋯π 和 C-Cl⋯π 相互作用相连,形成一个三周期网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2562/10439426/5766921d523b/e-79-00637-fig1.jpg

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