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.K. Kansız S. Tulemisova G.B. Dege N.
January 2025Pleiades Publishing
Journal of Structural Chemistry
2025#66Issue 1201 - 213 pp.
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.
2,6-diphenylpiperidin-4-one , crystal structure , Hirshfeld surface , NMR , oxazine , piperidin-4-one , XRD
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Science-Technology Research and Application Center, Artvin Çoruh University, Artvin, Turkey
Department of Fundamental Sciences, Faculty of Engineering, Samsun University, Samsun, Turkey
Department of Chemistry and Chemical Technologies, Faculty of Natural and Agricultural Sciences, Atyrau Dosmukhamedov State University, Atyrau, Kazakhstan
Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, Samsun, Turkey
Science-Technology Research and Application Center
Department of Fundamental Sciences
Department of Chemistry and Chemical Technologies
Department of Physics
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