Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenylbutan-2-yl)-2-hydroxy-2-methyl-4-phenylcyclohexane-1,1-dicarbonitrile

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Naghiyev F. N., Khrustalev V. N., Dobrokhotova E., AKKURT M., Khalilov A. N., Bhattarai A., ...daha çox

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.78, pp.568-573, 2022 (ESCI)

• Nəşrin Növü: Article / Article
• Cild: 78
• Nəşr tarixi: 2022
• Doi nömrəsi: 10.1107/s2056989022004777
• jurnalın adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Jurnalın baxıldığı indekslər: Emerging Sources Citation Index (ESCI), Scopus
• Səhifə sayı: pp.568-573
• Adres: Yox

Qısa məlumat

The central cyclohexane ring of the title compound, C32H28N2O4, adopts a chair conformation, with puckering parameters Q(T) = 0.618 (2) angstrom, theta = 176.72 (19)degrees and phi = 290 (3)degrees. In the crystal, molecules are linked by O-H center dot center dot center dot O, C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds, forming layers parallel to (100). These layers are linked by weak C-H center dot center dot center dot pi interactions and van der Waals forces. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H center dot center dot center dot H (41.2% contribution), C center dot center dot center dot H/H center dot center dot center dot C (20.3%), O center dot center dot center dot H/H center dot center dot center dot O (17.8%) and N center dot center dot center dot H/H center dot center dot center dot N (10.6%).