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
Yükleniyor...
Dosyalar
Tarih
2025
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Pleiades Publishing
Erişim Hakkı
info:eu-repo/semantics/embargoedAccess
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.
Açıklama
Anahtar Kelimeler
2, 6-diphenylpiperidin-4-one, Crystal structure, Hirshfeld surface, NMR, Oxazine, Piperidin-4-one, XRD
Kaynak
Journal of Structural Chemistry
WoS Q Değeri
Q4
Scopus Q Değeri
Q3
Cilt
66
Sayı
1
