Crystal structure and Hirshfeld surface analysis of (
| العنوان: | Crystal structure and Hirshfeld surface analysis of ( |
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| المؤلفون: | Wissem Zemamouche, Ouarda Brihi, Abdelmadjid Debache, Ali Boudjada, Rima Laroun, Noudjoud Hamdouni |
| المصدر: | Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 7, Pp 926-930 (2018) Acta Crystallographica Section E: Crystallographic Communications |
| سنة النشر: | 2018 |
| مصطلحات موضوعية: | Surface (mathematics), crystal structure, Z configuration, Crystal structure, 010402 general chemistry, Ring (chemistry), 01 natural sciences, Research Communications, Crystal, chemistry.chemical_compound, offset π–π interactions, General Materials Science, Isoxazole, hydroxybenzylidene, Crystallography, 010405 organic chemistry, Chemistry, Hydrogen bond, Hirshfeld surface, isoxazole, General Chemistry, Condensed Matter Physics, hydrogen bonding, 0104 chemical sciences, offset π–π interactions, QD901-999, hydroxybenzylidene |
| الوصف: | In the crystal of the title compound, molecules stack head-to-tail in columns along the b-axis direction, and are linked by offset π–π interactions [intercentroid distances of 3.676 (1) and 3.723 (1) Å]. 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. |
| تدمد: | 2056-9890 |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71c09b23f0bd4db40103bbea45e1293dTest https://pubmed.ncbi.nlm.nih.gov/35974832Test |
| حقوق: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....71c09b23f0bd4db40103bbea45e1293d |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 20569890 |
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