Abstract
Reacting two equivalents of sterically hindered 1,3-bis(2,6-diethylphenyl)thiourea ligand (L) with CoCl2, NiBr2, PdX2 (X = Cl; Br) and ZnI2 in acetonitrile afforded the corresponding bulky thiourea ligand stabi-lized four coordinated monomeric [L2CoCl2] ( 1 ), [L2NiBr2] ( 2 ), [L2PdX2] ( 3a : X = Cl; 3b : X = Br) and [L2ZnI2] (4.2CH3CN) complexes. Compound 1, 2 and 4.2CH3CN are tetrahedral whereas Pd complexes ( 3a and 3b ) are square planar. In solution, palladium complexes are dominated by cis-isomers. Struc-tural characterization shows inter-and intramolecular hydrogen bonding. Hirshfeld surface and finger-print plots indicated significant intermolecular interactions in the crystal network. Molecular docking analysis revealed relatively higher SARS-CoV-2 enzyme interacting abilities of the synthesized complexes compared to the free ligand. All compounds have been characterized by elemental analyses, NMR spec-troscopy and single-crystal X-ray diffraction.(c) 2022 Elsevier B.V. All rights reserved.