A novel mononuclear complex of the type [Zn(S-2-BIT)3(O-SO3)(CH3OH)2] (where 2-BIT = 2-benzimidazolethiole) was synthesized and its structure was investigated by elemental analysis, FT-IR spectroscopy, UV-Vis spectroscopy, and single crystal X-ray diffraction. The crystal structure of the complex show that, crystallizes in the triclinic P1 ̅ space group, with a=9.2946(13) Å, b= 10.1997(13) Å, c= 17.345(3) Å, β=105.494(7) օ , V= 1516.3(4) Å 3 , R1= 0.0316, wR2= 0.0843. In this complex, the distorted tetrahedral arrangement around the Zinc(II) atom is formed by three sulfur atoms from the 2-MBI ligand and one oxygen atom from the sulfate ion, and the crystal lattice structure of the complex also contains two uncoordinated methanol molecules that formed N-H ... O and O-H ... O intermolecular hydrogen bonds.

ABSTRACT-dppmCl)Cl 2 ] complexes and then add the ligand HSBIBT to these complexes to form mixed ligand complexes. The prepared complexes have been characterized by single-crystal X-ray diffraction, elemental analysis, magnetic susceptibility, molar conductance, IR spectral data and UV-Visible. The results suggested that the ligand HSBIBT bonded to the metal through N atom and square planner geometries were assigned for the complexes.

Platinum(II) complex consisting of the tertiarydiphosphine (dppm) ligand had been prepared from PdCl2 with one equiv. of dppm ligand to form [PtC2(dppmCl)] complex where as dppmCl is bis(dipheny1phosphino) chloromethene. Crystal was grown in dichloromethane by slow evaporation process and characterized by X-ray crystallography technic. The complex structure synthesized based upon the identification using X-ray Crystallography and FTIR was [PtC12(dppmCl)], the ligand dppm coordinated to the meta centre as bidentate chelating ligand and form square planar arrangement around Pt(II) metal centre. The bond distances of Pt-P1, Pt-P2, Pt- Cl1 and Pt-Cl2 are 2.217 (2), 2.217 (2), 2.3661 (19) and 2.3661 Aο respectively. The characterized results of Pt(II) complex using X-ray analysis illustrated that [PtC12(dppmCl)] Complex form monoclinic crystal with unit cell dimensions of a = 16.2034(5), b = 7.8274(2), and c = 19.2496 (6) Aο, with β = 98.918 (1)ο, Z=4, calculated density= 1.838 mg/m3, T= 200 k and space group C2/c

A new complex of Zn(II), with 5-chloro-2-methylbenzoxazole ligand (L), has been synthesized by the reaction of zinc dichloride with the ligand (L= C8H6ClNO) in ethanol solution: dichloridobis(5-chloro-2-methyl-1,3-benzoxazole)-zinc(II), C16H12Cl4N2O2Zn. The synthesized complex has been fully characterized by elemental analysis, molar conductivity, FT‑IR, UV‑Vis, and single-crystal X-ray diffraction (XRD). The XRD analysis reveals that the complex has a 1:2 metal-to-ligand ratio. The zinc(II) complex has a distorted tetrahedral geometry with two coordinated nitrogen atoms from the ligand. Density Functional Theory (DFT) calculations were performed at the B3LYP level of theory using the LANL2DZ basis set for metal complex and the 6–31G(d) basis set for non-metal elements to determine the optimum geometry structure of the complex, and the calculated HOMO and LUMO orbital energies were presented. A natural bond orbital (NBO) analysis was carried out on the molecules to analyze the atomic charge distribution before and after the complexation of the ligand. The Hirshfeld surface mapped over dnorm, shape index, and curvature exhibited strong H... Cl/Cl...H and H...H intermolecular interactions as the principal contributors to crystal packing.