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Crystal structure and Hirshfeld surface analysis of 4-benzyl-2H-benzo[b][1,4]oxazin-3(4H)-one

  • Soukaina El Haddad
  • , Olivier Blacque
  • , Tuncer Hökelek
  • , Ahmed Mazzah
  • , Taha Mohamed Labd
  • , Lhoussaine El Ghayati
  • , Nada Kheira Sebbar
  • Mohammed V University in Rabat
  • University of Zurich
  • Science and Technology of Lille USR 3290
  • Ibn Zohr University

Araştırma sonucu: Dergiye katkıMakalebilirkişi

Özet

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 R22(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.

Orijinal dilİngilizce
Sayfa (başlangıç-bitiş)920-923
Sayfa sayısı4
DergiActa Crystallographica Section E: Crystallographic Communications
Hacim81
Basın numarasıPt 10
DOI'lar
Yayın durumuYayınlandı - 1 Eki 2025

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