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

Acta Crystallographica Section E: Crystallographic Communications

Noudjoud Hamdouni¹  Ouarda Brihi¹  Wissem Zemamouche¹  Ali Boudjada¹  Rima Laroun²  Abdelmadjid Debache² 

[1] 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;

关键词: crystal structure;    isoxazole;    hydroxybenzylidene;    Z configuration;    hydrogen bonding;    offset π–π interactions;    Hirshfeld surface;   

DOI  :  10.1107/S2056989018007867

来源: DOAJ

【 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】

Unknown