Ahmed Adeeba, Ahmad Aiman, Ahmad Musheer, Kalibabchuk Valentina A
Department of Applied Chemistry, ZHCET, Aligarh Muslim University, Aligarh 202002 (UP), India.
Department of General Chemistry, O. O. Bohomolets National Medical University, Shevchenko Blvd. 13, 01601 Kiev, Ukraine.
Acta Crystallogr E Crystallogr Commun. 2020 Apr 24;76(Pt 5):728-731. doi: 10.1107/S2056989020005393. eCollection 2020 May 1.
The title compound, CHNO·CHNO, was synthesized by condensation of an aromatic aldehyde with a secondary amine and subsequent reduction. It was crystallized from a di-methyl-formamide solution as a monosolvate, CHNO·CHNO. The aromatic mol-ecule is non-planar with a dihedral angle between the mean planes of the aniline moiety and the methyl anthracene moiety of 81.36 (8)°. The torsion angle of the C-CH-NH-C backbone is 175.9 (2)°. The crystal structure exhibits a three-dimensional supra-molecular network, resulting from hydrogen-bonding inter-actions between the carb-oxy-lic OH group and the solvent O atom as well as between the amine functionality and the O atom of the carb-oxy-lic group and additional C-H⋯π inter-actions. Hirshfeld surface analysis was performed to qu-antify the inter-molecular inter-actions.
标题化合物CHNO·CHNO是通过芳香醛与仲胺缩合并随后还原合成的。它从二甲基甲酰胺溶液中结晶为单溶剂合物CHNO·CHNO。芳香分子是非平面的,苯胺部分和甲基蒽部分的平均平面之间的二面角为81.36 (8)°。C-CH-NH-C主链的扭转角为175.9 (2)°。晶体结构呈现出三维超分子网络,这是由羧酸OH基团与溶剂O原子之间以及胺官能团与羧酸基团的O原子之间的氢键相互作用以及额外的C-H⋯π相互作用导致的。进行了 Hirshfeld 表面分析以量化分子间相互作用。