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

Özkaraca Kadriye, Akkurt Mehmet, Shikhaliyev Namiq Q, Askerova Ulviyya F, Suleymanova Gulnar T, Mammadova Gunay Z, Mlowe Sixberth

Institute of Natural and Applied Science, Erciyes University, 38039 Kayseri, Turkey.

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

Acta Crystallogr E Crystallogr Commun. 2020 Jun 19;76(Pt 7):1122-1125. doi: 10.1107/S2056989020007744. eCollection 2020 Jul 1.

In the tile compound, CHClN, the dihedral angle between the benzene rings is 62.73 (9)°. In the crystal, there are no classical hydrogen bonds. Mol-ecules are linked by a pair of C-Cl⋯π inter-actions, forming an inversion dimer. A short inter-molecular H⋯H contact [Cl⋯Cl = 3.2555 (9) Å] links the dimers, forming a ribbon along the -axis direction. The Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that the most important contributions for the crystal packing are from H⋯H (45.4%), Cl⋯H/H⋯Cl (21.0%) and C⋯H/H⋯C (19.0%) contacts.

在该瓦片状化合物CHClN中，苯环之间的二面角为62.73 (9)°。在晶体中，不存在经典氢键。分子通过一对C-Cl⋯π相互作用相连，形成一个反演二聚体。一个短的分子间H⋯H接触 [Cl⋯Cl = 3.2555 (9) Å] 将二聚体连接起来，沿轴方向形成一条带状结构。Hirshfeld表面分析和二维指纹图谱表明，晶体堆积中最重要的贡献来自H⋯H（45.4%）、Cl⋯H/H⋯Cl（21.0%）和C⋯H/H⋯C（19.0%）接触。