Allah Omyma A A Abd, Kaur Manpreet, Akkurt Mehmet, Mohamed Shaaban K, Jasinski Jerry P, Elgarhy Sahar M I
Chemistry Department, Faculty of Science, Sohag University, 82524 Sohag, Egypt.
Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
Acta Crystallogr E Crystallogr Commun. 2021 Feb 12;77(Pt 3):247-250. doi: 10.1107/S2056989021001341. eCollection 2021 Mar 1.
In the title compound, CHNO, a 3,3,6,6-tetra-methyl-tetra-hydro-acridine-1,8-dione ring system carries an ethyl acetate substituent on the acridine N atom and an -hy-droxy-phenyl ring on the central methine C atom of the di-hydro-pyridine ring. The benzene ring is inclined to the acridine ring system at an angle of 80.45 (7)° and this conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond between the hy-droxy substituent on the benzene ring and one of the carbonyl groups of the acridinedione unit. The ester C=O oxygen atom is disordered over major and minor orientations in a 0.777 (9):0.223 (9) ratio and the terminal -CH unit of the ethyl side chain is disordered over two sets of sites in a 0.725 (5): 0.275 (5) ratio. In the crystal, C-H⋯O hydrogen bonds combine to link the mol-ecules into a three-dimensional network. van der Waals H⋯H contacts contribute the most to the Hirshfeld surface (66.9%) followed by O⋯H/H⋯O (22.1%) contacts associated with weak hydrogen bonds.
在标题化合物CHNO中，一个3,3,6,6-四甲基-四氢吖啶-1,8-二酮环系在吖啶N原子上带有一个乙酸乙酯取代基，在二氢吡啶环的中心次甲基C原子上带有一个羟基苯环。苯环与吖啶环系呈80.45 (7)°的倾斜角，这种构象通过苯环上的羟基取代基与吖啶二酮单元的一个羰基之间的分子内O-H⋯O氢键得以稳定。酯基的C=O氧原子在主要和次要取向上无序，比例为0.777 (9):0.223 (9)，乙基侧链的末端-CH单元在两组位置上无序，比例为0.725 (5):0.275 (5)。在晶体中，C-H⋯O氢键相互结合，将分子连接成三维网络。范德华H⋯H接触对Hirshfeld表面的贡献最大（66.9%），其次是与弱氢键相关的O⋯H/H⋯O（22.1%）接触。
