Zemamouche Wissem, Laroun Rima, Hamdouni Noudjoud, Brihi Ouarda, Boudjada Ali, Debache Abdelmadjid
Laboratoire de Cristallographie, Département de Physique, Université Mentouri-Constantine, 25000 Constantine, Algeria.
Laboratoire de Synthèse de Molécules, d'Intérêts Biologiques, Département de Chimie, Université Mentouri-Constantine, 25000 Constantine, Algeria.
Acta Crystallogr E Crystallogr Commun. 2018 Jun 8;74(Pt 7):926-930. doi: 10.1107/S2056989018007867. eCollection 2018 Jul 1.
The title compound, CHNO, contains an isoxazole and a hy-droxy-benzyl-idene ring, which are inclined to each another by 3.18 (8)°. There is an intra-molecular C-H⋯O contact forming an (7) ring. In the crystal, mol-ecules stack head-to-tail in columns along the -axis direction, linked by offset π-π inter-actions [inter-centroid distances of 3.676 (1) and 3.723 (1) Å]. The columns are linked by O-H⋯O and O-H⋯N hydrogen bonds, forming layers parallel to the plane. The layers are linked by C-H⋯O hydrogen bonds, forming a supra-molecular three-dimensional framework. An analysis of the Hirshfeld surfaces points to the importance of the O-H⋯O and O-H⋯N hydrogen bonding in the packing mechanism of the crystal structure.
标题化合物CHNO包含一个异恶唑环和一个羟基苯亚甲基环,它们彼此间倾斜3.18 (8)°。存在一个分子内C-H⋯O接触形成一个(7)环。在晶体中,分子沿轴方向头对头堆积成列,通过偏移π-π相互作用相连[质心间距为3.676 (1)和3.723 (1) Å]。这些列通过O-H⋯O和O-H⋯N氢键相连,形成平行于平面的层。这些层通过C-H⋯O氢键相连,形成一个超分子三维框架。对Hirshfeld表面的分析表明,O-H⋯O和O-H⋯N氢键在晶体结构的堆积机制中很重要。