Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hy­droxy­benzyl­idene)-3-methyl­isoxazol-5(4H)-one

Acta Crystallographica Section E: Crystallographic Communications

Zemamouche, W.¹  Laroun, R.² 

[1] Laboratoire de Cristallographie, Dpartement de Physique, Universit Mentouri-Constantine, 25000 Constantine, Algeria;Laboratoire de Synthse de Molcules, d'Intrts Biologiques, Dpartement de Chimie, Universit Mentouri-Constantine, 25000 Constantine, Algeria

关键词: CRYSTAL STRUCTURE;    ISOXAZOLE;    HYDROXYBENZYLIDENE;    Z CONFIGURATION;    HYDROGEN BONDING;    OFFSET [PI]-[PI] INTERACTIONS;    HIRSHFELD SURFACE;   

DOI  :  10.1107/S2056989018007867

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C11H9NO3, contains an isoxazole and a hy­droxy­benzyl­idene ring, which are inclined to each another by 3.18 (8)°. There is an intra­molecular C—H⋯O contact forming an S(7) ring. In the crystal, mol­ecules stack head-to-tail in columns along the b-axis direction, linked by offset π–π inter­actions [inter­centroid 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 ab plane. The layers are linked by C—H⋯O hydrogen bonds, forming a supra­molecular 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.

【 授权许可】

CC BY