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

被引：0

作者：

Gumus, M. K. ^{[1
]}

Kansiz, S. ^{[2
]}

Tulemisova, G. B. ^{[3
]}

Dege, N. ^{[4
]}

机构：

[1] Artvin Coruh Univ, Sci Technol Res & Applicat Ctr, Artvin, Turkiye

[2] Samsun Univ, Fac Engn, Dept Fundamental Sci, Samsun, Turkiye

[3] Atyrau Dosmukhamedov State Univ, Fac Nat & Agr Sci, Dept Chem & Chem Technol, Atyrau, Kazakhstan

[4] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, Samsun, Turkiye

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2025年 / 66卷 / 01期

关键词：

oxazine; piperidin-4-one; 2,6-diphenylpiperidin-4-one; NMR; XRD; crystal structure; Hirshfeld surface; COMPLEXES; PROGRAM; DFT;

D O I：

10.1134/S0022476625010184

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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.

引用

页码：201 / 213

页数：13

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