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

التفاصيل البيبلوغرافية
العنوان: Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one
المؤلفون: Wissem Zemamouche, Rima Laroun, Noudjoud Hamdouni, Ouarda Brihi, Ali Boudjada, Abdelmadjid Debache
المصدر: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 7, Pp 926-930 (2018)
بيانات النشر: International Union of Crystallography, 2018.
سنة النشر: 2018
المجموعة: LCC:Crystallography
مصطلحات موضوعية: crystal structure, isoxazole, hydroxybenzylidene, Z configuration, hydrogen bonding, offset π–π interactions, Hirshfeld surface, Crystallography, QD901-999
الوصف: 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.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2056-9890
20569890
العلاقة: http://scripts.iucr.org/cgi-bin/paper?S2056989018007867Test; https://doaj.org/toc/2056-9890Test
DOI: 10.1107/S2056989018007867
الوصول الحر: https://doaj.org/article/c635b1c3ef4c49168c308b5ba5c28674Test
رقم الانضمام: edsdoj.635b1c3ef4c49168c308b5ba5c28674
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:20569890
DOI:10.1107/S2056989018007867