（）-1-[2,2-二溴-1-（2-硝基苯基）乙烯基]-2-（4-氟苯基）二氮烯的晶体结构与 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of ()-1-[2,2-di-bromo-1-(2-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.
作者信息
Çelikesir Sevim Türktekin, Akkurt Mehmet, Shikhaliyev Namiq Q, Mammadova Naila A, Suleymanova Gulnar T, Khrustalev Victor N, Bhattarai Ajaya
机构信息
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan.
出版信息
Acta Crystallogr E Crystallogr Commun. 2022 Mar 17;78(Pt 4):404-408. doi: 10.1107/S205698902200278X. eCollection 2022 Apr 1.
In the title compound, CHBrFNO, the nitro-substituted benzene ring and the 4-fluoro-phenyl ring form a dihedral angle of 65.73 (7)°. In the crystal, mol-ecules are linked into chains by C-H⋯O hydrogen bonds running parallel to the -axis direction. The crystal packing is consolidated by C-F⋯π inter-actions and π-π stacking inter-actions, and short Br⋯O [2.9828 (13) Å] contacts are observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (17.4%), O⋯H/H⋯O (16.3%), Br⋯H/H⋯Br (15.5%), Br⋯C/C⋯Br (10.1%) and F⋯H/H⋯F (8.1%) contacts.
在标题化合物CHBrFNO中，硝基取代的苯环与4-氟苯基环形成的二面角为65.73 (7)°。在晶体中，分子通过平行于a轴方向的C—H⋯O氢键连接成链。晶体堆积通过C—F⋯π相互作用和π-π堆积相互作用得以巩固，并且观察到短的Br⋯O [2.9828 (13) Å]接触。晶体结构的 Hirshfeld 表面分析表明，对晶体堆积贡献最大的是H⋯H（17.4%）、O⋯H/H⋯O（16.3%）、Br⋯H/H⋯Br（15.5%）、Br⋯C/C⋯Br（10.1%）和F⋯H/H⋯F（8.1%）接触。
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