Crystal structure reveals a dihedral angle of 14.84° in ethyl 2-cyanoacrylate, indicating limited hydrogen-bonding interactions.
In the molecule of the title compound, C 17 H 16 N 2 O 3 , 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.
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Колесник et al. (2025) studied this question.
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