Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (<i>E</i>)-2-cyano-3-[5-(4-ethyl-phen-yl)isoxazol-3-yl]prop-2-enoate.

ABSTRACT: In the mol-ecule of the title compound, C₁₇H₁₆N₂O₃, the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyano-acrylate moiety is in E- 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.

SUBMITTER: Kolesnik IA 

PROVIDER: S-EPMC12412699 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature