Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (<i>E</i>)-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate
In the mol-ecule of the title compound, C<sub>17</sub>H<sub>16</sub>N<sub>2</sub>O<sub>3</sub>, the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyano-acrylate moiety is in <i>E</i>- configuration. In the crystal, there are no inter-molecular hydrogen-bonding or C-H⋯π(ring) inter-actions, only a π-π inter-action 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%) inter-actions.
Authors
- И. А. Колесник (ORCID: https://orcid.org/0000-0003-4921-4299)
- Mohammed Hadi Al–Douh (ORCID: https://orcid.org/0000-0001-9777-2653)
- Tuncer Hökelek (ORCID: https://orcid.org/0000-0002-8602-4382)
- Mikhail S. Grigoriev (ORCID: https://orcid.org/0000-0002-6363-5535)
- Khudayar I. Hasanov
- Tahir A. Javadzade (ORCID: https://orcid.org/0000-0003-3327-4430)
- Narmina A. Guliyeva
- Artem P. Sanchez-Pimentel
Institutions
- Khazar University (AZ)
- Peoples' Friendship University of Russia (RU)
- National Academy of Sciences of Belarus (BY)
- Azerbaijan Medical University (AZ)
- Hadhramout University (YE)
- Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences (RU)
- Baku Engineering University (AZ)
- Hacettepe University (TR)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-08-01
- DOI
- https://doi.org/10.1107/s2056989025006875
- Primary Topic
- Coordination Chemistry and Organometallics
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Belarusian Republican Foundation for Fundamental Research
- Russian Science Foundation