2,2'-（苯基氮杂二亚基）双（1-苯基乙-1-酮）的晶体结构与 Hirshfeld 表面分析

Naghiyev Farid N, Khrustalev Victor N, Safronenko Marina G, Akkurt Mehmet, Khalilov Ali N, Bhattarai Ajaya, Mamedov İbrahim G

Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148 Baku, Azerbaijan.

Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St.6, Moscow, 117198, Russian Federation.

Acta Crystallogr E Crystallogr Commun. 2022 Jun 7;78(Pt 7):691-694. doi: 10.1107/S2056989022005382. eCollection 2022 Jul 1.

The whole mol-ecule of the title compound, CHNO, is generated by twofold rotational symmetry. The N atom exhibits a trigonal-planar geometry and is located on the twofold rotation axis. In the crystal, mol-ecules are linked by C-H⋯O contacts with (12) ring motifs, and C-H⋯π inter-actions, resulting in ribbons along the axis direction. van der Waals inter-actions between these ribbons consolidate the mol-ecular packing. Hirshfeld surface analysis indicates that the greatest contributions to the crystal packing are from H⋯H (45.5%), C⋯H/H⋯C (38.2%) and O⋯H/H⋯O (16.0%) inter-actions.

标题化合物CHNO的整个分子由二次旋转对称性产生。N原子呈现三角平面几何构型，且位于二次旋转轴上。在晶体中，分子通过具有(12)环模式的C-H⋯O接触以及C-H⋯π相互作用相连，从而沿轴方向形成带状结构。这些带状结构之间的范德华相互作用巩固了分子堆积。 Hirshfeld表面分析表明，对晶体堆积贡献最大的是H⋯H（45.5%）、C⋯H/H⋯C（38.2%）和O⋯H/H⋯O（16.0%）相互作用。