SYNTHESIS, CRYSTAL STRUCTURE, AND HIRSHFELD SURFACE ANALYSIS OF 4,4A,5,6,7,8-HEXAHYDRO-4A-METHYL-2,5,7-TRIPHENYL-2<i>H</i>-PYRIDO[4,3-<i>d</i>][1,3]OXAZINE

Gumus M. K., Kansiz S., Tulemisova G. B., Dege N.

JOURNAL OF STRUCTURAL CHEMISTRY, cilt.66, sa.1, ss.201-213, 2025 (SCI-Expanded) identifier 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
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

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, H-1 NMR, C-13 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 center dot center dot center dot H and C center dot center dot center dot H contacts, highlighting the significant role these interactions play in the compound's overall stability and structural configuration.