Radhakrishnan Rengaraj, Mustaphi Nour El Hoda, Sebbar Nada Kheira, Mague Joel T, Thiruvalluvar Aravazhi Amalan
P. G. & Research Department of Physics, Jamal Mohamed College (Autonomous), (affiliated to Bharathidasan University), Tiruchirappalli 620 020, Tamilnadu, India.
Laboratoire Chimie Organique Catalyse et Environnement, Faculté des Sciences, Kenitra, Morocco.
Acta Crystallogr E Crystallogr Commun. 2023 May 16;79(Pt 6):545-548. doi: 10.1107/S2056989023004139. eCollection 2023 May 1.
The asymmetric unit of the title mol-ecule, CHNO, consists of two mol-ecules differing slightly in conformation and in their inter-molecular inter-actions in the solid. The dihedral angle between the benzene and dioxolane rings is 0.20 (7)° in one mol-ecule and 0.31 (7)° in the other. In the crystal, the two mol-ecules are linked into dimers through pairwise O-H⋯N hydrogen bonds, with these units being formed into stacks by two different sets of aromatic π-stacking inter-actions. The stacks are connected by C-H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are H⋯O/O⋯H (36.7%), H⋯H (32.2%) and C⋯H/H⋯C (12.7%).
标题分子CHNO的不对称单元由两个分子组成,这两个分子在构象以及在固体中的分子间相互作用方面略有不同。在一个分子中,苯环与二氧戊环之间的二面角为0.20 (7)°,在另一个分子中为0.31 (7)°。在晶体中,这两个分子通过成对的O—H⋯N氢键连接成二聚体,这些单元通过两组不同的芳香π-堆积相互作用形成堆积。这些堆积通过C—H⋯O氢键相连。 Hirshfeld表面分析表明,晶体堆积中最主要的接触是H⋯O/O⋯H(36.7%)、H⋯H(32.2%)和C⋯H/H⋯C(12.7%)。