Abad Nadeem, Mague Joel T, Kalonji Mubengayi Camille, Alsubari Abdulsalam, Essassi El Mokhtar, Ramli Youssef
Laboratory of Medicinal Chemistry Drug Sciences Research Center Faculty of Medicine and Pharmacy Mohammed V University in Rabat Morocco.
Laboratory of Heterocyclic Organic Chemistry, Faculty of Sciences, Mohammed V University, Rabat, Morocco.
Acta Crystallogr E Crystallogr Commun. 2024 Aug 9;80(Pt 9):936-941. doi: 10.1107/S2056989024007746. eCollection 2024 Sep 1.
In the title mol-ecule, CHNO, the di-hydro-quinoxaline unit is not quite planar (r.m.s. deviation = 0.030 Å) as there is a dihedral angle of 2.69 (3)° between the mean planes of the constituent rings and the mol-ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol-ecules are associated through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and C=O⋯π(ring) inter-actions, forming thick layers parallel to the plane and with the -octyl groups on the outside surfaces.
在标题分子CHNO中,二氢喹喔啉单元并非完全平面(均方根偏差 = 0.030 Å),因为组成环的平均平面之间存在2.69 (3)°的二面角,且分子呈发夹构象。在晶体中,分子的极性部分通过C-H⋯O和C-H⋯N氢键以及C-H⋯π(环)和C=O⋯π(环)相互作用相连,形成平行于 平面的厚层,且 - 辛基位于外表面。