Zaoui Younes, Assila Hamza, Mague Joel T, Alsubari Abdulsalam, Taoufik Jamal, Ramli Youssef, Ansar Mhammed
Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Rabat, Morocco.
Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
IUCrdata. 2022 Jun 7;7(Pt 6):x220582. doi: 10.1107/S241431462200582X. eCollection 2022 Jun.
In the title mol-ecule, CHNO, the inner part of the ester substituent is nearly perpendicular to the di-hydro-pyridazine ring, forming a dihedral angle of 83.21 (7)°. In the crystal, inversion dimers are formed by pairwise C-H⋯O inter-actions with the dimers connected into chains extending along the -axis direction by C-H⋯π(ring) inter-actions. The chains are connected by π-stacking inter-actions to give corrugated layers parallel to the plane. The terminal ethyl group is disordered over two two sets of sites with the major component having a site occupancy factor of 0.715 (10).
在标题分子CHNO中，酯取代基的内部几乎垂直于二氢哒嗪环，形成83.21 (7)°的二面角。在晶体中，通过成对的C-H⋯O相互作用形成反演二聚体，这些二聚体通过C-H⋯π(环)相互作用连接成沿轴方向延伸的链。这些链通过π-堆积相互作用连接，形成平行于平面的波纹层。末端乙基在两组位置上无序，主要组分的占据因子为0.715 (10)。
