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Article Abstract

In the mol-ecule of the title compound, CHNO, the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyano-acrylate moiety is in - 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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC12412699PMC
http://dx.doi.org/10.1107/S2056989025006875DOI Listing

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ethyl -2-cyano-3-[5-4-ethyl-phen-ylisoxazol-3-yl]prop-2-enoate
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