Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives
Year: 2018
Type: article
Abstract: Imidazole derivatives I [1-(3,5-Difluoro-4-methylphenyl)-2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole and II 2-(4-fluorophenyl)-4,5-diphenyl-1-(4-trifluoro)-phenyl-1H-imidazole] have been synthesized by using multicomponent reaction(MCR). The compounds (I & II) are crystallized in the monoclinic space group I2/a and in triclinic space group P-1 with unit cell parameters a = 22.1693(7), b= 8.1636(6), c=25.7250(19) A, β = 112.526(9)° and a = 9.2427(6), b = 13.4381(9), c =19.7520(4) A, α= 90.464(5)°, β = 99.530(5)°, γ=106.210(6)˚ respectively. The complexes have been characterized by single crystal X-ray crystallographic analysis which revealed the asymmetric unit of the compound II contains two crystallographically independent molecules with almost similar geometries. The crystal structures were solved by Direct Methods and refined by Full Matrix least squares procedure. The C-H …F [inter-molecular and intra-molecular] interactions plays an important role in stabilizing the crystal packing. Molecular docking studies were used to identify the inhibitory activity against fungal protein cyctochrome P450 14 α demethylase enzyme.
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W2802870893