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http://hdl.handle.net/20.500.12323/8166| Title: | Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)- isoxazol-3-yl]prop-2-enoate |
| Authors: | Kolesnik, Irina A. Sanchez-Pimentel, Artem P. Grigoriev, Mikhail S. Hökelek, Tuncer Hasanov, Khudayar I. Guliyeva, Narmina A. Javadzade, Tahir A. Hadi Al-Douh, Mohammed |
| Keywords: | crystal structure isoxazole ring cyanoacrylaate Hirshfeld surface analysis |
| Issue Date: | Jul-2025 |
| Publisher: | International Union of Crystallography |
| Series/Report no.: | Vol. 81;Acta Crystallographica Section E, Crystallographic Communications, № 9 |
| Abstract: | In the molecule of the title compound, C17H16N2O3, the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyanoacrylate moiety is in E- configuration. In the crystal, there are no intermolecular hydrogen-bonding or C—H⋯π(ring) interactions, only a π–π interaction between the parallel isoxazol rings with centroid-to-centroid distance of 3.4932 (9) Å (α = 0.02°). The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (43.9%), H⋯N/N⋯H (17.0%), H⋯O/O⋯H (13.9%) and C⋯C (10.1%) interactions. |
| URI: | http://hdl.handle.net/20.500.12323/8166 |
| ISSN: | 2056-9890 |
| Appears in Collections: | Publications |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)- isoxazol-3-yl]prop-2-enoate.pdf | 7.41 MB | Adobe PDF | View/Open |
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