Synthesis, Crystal Structure, and Hirshfeld Surface Analysis of 4,4A,5,6,7,8-Hexahydro-4A-Methyl-2,5,7-Triphenyl-2H-Pyrido[4,3-d][1,3]Oxazine

Gümüş M., KANSIZ S., Tulemisova G., Dege N.

Journal of Structural Chemistry, cilt.66, sa.1, ss.201-213, 2025 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 66 Sayı: 1
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1134/s0022476625010184
  • Dergi Adı: Journal of Structural Chemistry
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Sayfa Sayıları: ss.201-213
  • Anahtar Kelimeler: 2,6-diphenylpiperidin-4-one, crystal structure, Hirshfeld surface, NMR, oxazine, piperidin-4-one, XRD
  • Samsun Üniversitesi Adresli: Evet

Özet

Abstract: Synthesis of the 2,6-diphenyldpiperidin-4-one derivative of title compound 4,4a,5,6,7,8-hexahydro-4a-methyl-2,5,7-triphenyl-2H-pyrido[4,3-d][1,3]oxazine (HMTPO) is developed using the reaction of 4-hydroxy-3-methyl-2-butanone, benzaldehyde, and ammonium acetate in ethanol as a solvent. The molecular structure of HMTPO is determined by single crystal X-ray diffraction. The chemical structure is confirmed by employing IR, 1H NMR, 13C NMR, and mass spectral data. To gain deeper insight into the bonding interactions within the compound, Hirshfeld surface analysis and two-dimensional fingerprint plots are conducted. The findings reveal that the Hirshfeld surfaces are predominantly influenced by H⋯H and C⋯H contacts, highlighting the significant role these interactions play in the compound’s overall stability and structural configuration.