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
- Статья поступила: 01.08.2024 г.
- С доработки: 14.10.2024 г.
- Принята к публикации: 25.10.2024 г.
- DOI 10.26902/JSC_id139916
- EDN: USZRMP
- Просмотров: 203
1 Science-Technology Research and Application Center, Artvin Çoruh University, Artvin, Turkey
2 Department of Fundamental Sciences, Faculty of Engineering, Samsun University, Samsun, Turkey
3 Department of Chemistry and Chemical Technologies, Faculty of Natural and Agricultural Sciences, Atyrau State University named after Kh. Dosmukhamedov, Atyrau, Kazakhstan
4 Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, Kurupelit, Samsun, Turkey
The synthesis of the 2,6-diphenyldpiperidin-4-one derivative of the title compound, 4,4a,5,6,7,8-hexahydro-4a-methyl-2,5,7-triphenyl-2H-pyrido[4,3-d][1,3]oxazine (HMTPO), was 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 was determined by single-crystal X-ray diffraction. The chemical structure was 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 were
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.
Ключевые слова: oxazine, piperidin-4-one, 2,6-diphenylpiperidin-4-one, NMR, XRD, crystal structure, Hirshfeld surface
|
Импакт-фактор 2024 1.4 |
||||
|
Срок опубликования 4 мес |
||||
|
XII Национальная кристаллохимическая конференция Апатиты, 4–12 июля 2026 г. |
|
Уважаемые авторы и подписчики “Журнала структурной химии”,
в свободном доступе
архив ЖСХ до 2021 года ("Номера").
Спецвыпуски
Самое интересное
Статьи, к которым чаще всего обращаются посетители
Рубрики