Demir Kanmazalp Sibel, Doĝan Onur Erman, Taşdemir Volkan, Dege Necmi, Aĝar Erbil, Fritsky Igor O
Gaziantep University, Technical Sciences, 27310, Gaziantep, Turkey.
Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Chemistry, 55139, Kurupelit, Samsun, Turkey.
Acta Crystallogr E Crystallogr Commun. 2019 Feb 12;75(Pt 3):362-366. doi: 10.1107/S2056989019002123. eCollection 2019 Mar 1.
The title compound, CHClNO, is a Schiff base that exists in the keto-enamine tautomeric form and adopts a configuration. In the crystal, the dihedral angle between the planes of the benzene rings is 5.34 (15)°. The roughly planar geometry of the mol-ecule is stabilized by a strong intra-molecular N-H⋯O hydrogen bond. In the crystal, pairs of centrosymmetrically related mol-ecules are linked by O-H⋯O hydrogen bonds, forming (10) rings. Besides this, the mol-ecules form stacks along the [001] direction with C-H⋯π and C-H⋯Cl contacts between the stacks. The inter-molecular inter-actions in the crystal were analysed using Hirshfeld surfaces. The most significant contribution to the crystal packing is from H⋯H contacts (30.8%).
标题化合物CHClNO是一种席夫碱，以酮-烯胺互变异构形式存在，并采用一种构型。在晶体中，苯环平面之间的二面角为5.34 (15)°。分子的大致平面几何结构通过强分子内N-H⋯O氢键得以稳定。在晶体中，中心对称相关的分子对通过O-H⋯O氢键相连，形成(10)环。除此之外，分子沿[001]方向形成堆积，堆积之间存在C-H⋯π和C-H⋯Cl接触。利用 Hirshfeld 表面分析了晶体中的分子间相互作用。对晶体堆积贡献最大的是H⋯H接触(30.8%)。
