Synthesis, Crystal Structure, X-ray Studies, Dft Optimization and Evaluation in Vitro of (e)-5-(benzyloxy)-2-{[(4-methoxyphenyl)imino]methyl}phenol
Year: 2020
Type: article
Abstract: The title Schiff base (Sb) compound, C 21 H 19 NO 3 , was synthesized via the condensation reaction of 2-amino-4-methoxyphenol, with 4-(benzyloxy)-2-hydroxybenzaldehyde.The structure compound was performed by X-ray data analysis.The compound crystallises in the monoclinic P2 1 /c space group with a = 18.859(4)Å, b = 14.612(3)Å and c = 6.2133(12)Å.β = 97.965(8)°,V= 1695.7(6)Å 3 and Z = 4.In the compound the conformation about C=N imine bond is E. The molecule is non-planar; the central benzene ring makes dihedral angles of 6.63(9) and 63.95(9)° with the outer methoxyphenyl and phenyl rings, * Nadir Ghichi, e-mail: [email protected] Ghichi et al. respectively.In the compound there is an intramolecular O-H•••N hydrogen bond forming an S(6) ring motif.In the crystal, molecules are predominate by C-H•••π interactions.The density functional theory (DFT) optimized structure, at the B3LYP/6-311+G(d) level, is compared with the experimentally determined molecular structure in the solid state.The antioxidant capacity of the synthesized compound was determined by the 2,2-diphenyl-1-picrylhydrazyl hydrate (DPPH) radical scavenging, cupric reducing capacity (CUPRAC) and ferric reducing power.
Source: Acta Chemica Iasi
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W3204892380