Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes

Seven new coordination complexes namely, [Cu(T1) (I) (PPh3)(2)] (CT1), [Cu(T2) (I) (PPh3)(2)] (CT2), [Cu(T3) (I) (PPh3)(2)] (CT3), [Cu(T4) (I) (PPh3)(2)] (CT4), [Cu(T5) (I) (PPh3)(2)] (CT5), [Cu(T6) (I) (PPh3)(2)] (CT6) and [Cu(T7) (I) (PPh3)(2)] (CT7), were synthesized and characterized by using spectroscopic and crystallographic methods. The results from spectroscopic data and crystal structure analysis showed that in all complexes, the acylthiourea ligands coordinated as monodentate S-donor mode. All of the complexes displayed distorted tetrahedral geometry with one iodide anion, two triphenylphosphine ligands and one acylthiourea ligand (N-benzoyl-N'-(substituted phenyl)thiourea bearing different ortho/meta-substituents; R-H, 3-Me, 3-OMe, 3-OH, 3-Cl, 2-Me and 2-OMe, T1-T7 respectively) attached to the Cu(I) central metal atom. The acylthiourea ligands behaved as a monodentate S-donor ligand instead of its common O, S-bidentate nature due to the tetrahedrally favored geometry of the copper(I) metal and the presence of two bulky group of triphenylphosphine ligand as the co-ligand. Interestingly, CT1-CT4 and CT7 crystals are isostructural and crystallized in the monoclinic P2(1)/c crystal system whereas CT5 and CT6 are also isostructurally crystallized in the triclinic P (1) over bar crystal system. Isostructural structures of these two crystal systems illustrated almost similar crystal packing but with significantly different interactions as determined by Hirshfeld surface analysis which is discussed herein. (C) 2019 Published by Elsevier B.V.