Faraj Imane, El Ghayati Lhoussaine, Blacque Olivier, Hökelek Tuncer, Mazzah Ahmed, Essassi El Mokhtar, Sebbar Nada Kheira
Laboratory of Heterocyclic Organic Chemistry Medicines Science Research Center Pharmacochemistry Competence Center Mohammed V University in Rabat Faculté des Sciences Av Ibn Battouta BP 1014 Rabat Morocco.
University of Zurich, Department of Chemistry, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland.
Acta Crystallogr E Crystallogr Commun. 2025 Apr 8;81(Pt 5):381-384. doi: 10.1107/S2056989025003032. eCollection 2025 May 1.
The title compound, CHNO, contains non-planar diazepine (in a boat-sofa conformation) and pyran (envelope) rings. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, enclosing (16) and (24) ring motifs, to generate [110] chains. Very weak π-π stacking inter-actions between the phenyl rings of adjacent mol-ecules with an inter-centroid distance of 4.0264 (9) Å help to consolidate a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (45.1%), H⋯O/O⋯H (23.2%) and H⋯C/C⋯H (19.2%) inter-actions.
标题化合物CHNO包含非平面的二氮杂卓（呈船式-沙发式构象）和吡喃（信封式）环。在晶体中，O-H⋯O和N-H⋯O氢键连接分子，形成(16)和(24)环模式，产生[110]链。相邻分子的苯环之间存在非常弱的π-π堆积相互作用，质心间距为4.0264 (9) Å，有助于巩固三维结构。晶体结构的 Hirshfeld 表面分析表明，对晶体堆积最重要的贡献来自H⋯H（45.1%）、H⋯O/O⋯H（23.2%）和H⋯C/C⋯H（19.2%）相互作用。
