Crystal structure analysis reveals distinct interactions in 4-benzyl-2H-benzo[b][1,4]oxazin-3(4H)-one, indicating its packing behavior.
The molecule of the title compound, C₁₅H₁₃NO₂, comprises a non-planar oxazine ring (twisted–boat conformation) fused to a benzene ring, and a benzyl moiety. In the crystal, C—H...O hydrogen bonds link the molecules into [010] supramolecular chains, enclosing R ₂ ²(9) ring motifs. C—H...π interactions and very weak π–π stacking between the benzene rings of adjacent molecules help to consolidate the packing. A Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H...H (48.8%), H... C/C...H (29.3%) and H...O/O...H (18.9%) interactions.
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Haddad et al. (2025) studied this question.
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