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

Mustafa Kemal Gümüş, Sevgi Kansız, G. B. Tulemisova, Necmi Dege

2025

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DOI 10.1134/s0022476625010184
Data confidence 70 medium
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Abstract

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.