Synthesis, crystal structure, spectroscopic study and Hirshfeld surface analysis of [Ni(C6H8N2)3]Cl2.2(H2O) (1)

Abstract

The title compound, [Ni(C6H8N2)3]Cl2.2(H2O), was synthesized by slow evaporation method at room temperature. The structural study by X–ray diffraction indicate that this compound crystallize in the triclinic system, P-1 space group with a = 10.222(2) Å, b = 10.757(2) Å, c = 11.441(3) Å, α=114.30(4)°, β=99.43(3)° and γ=93.01(3)°. The structure is formed by the cation [Ni(C6H8N2)3]2+, tow chloride anions and two molecules water of crystallization. The nickel (II) atom is coordinated to six nitrogen donors from three neutral 2-AMP ligands, adopting a slightly distorted octahedral geometry. The crystal structure is stabilized by strong hydrogen bonds of N–H…Cl, O–H…Cl, C–H…Cl and π–π interactions to obtained three–dimensional network. The newly prepared compound was characterized by XRD, Infrared, UV–Vis spectroscopy and Hirshfeld surface (3D-HS) analysis. Vibrational analysis of the compound was realized by infrared spectroscopy. The optical properties of the crystal were studied using optical absorption UV–visible spectroscopy which confirmed the semiconducting properties by revealing a direct optical band. Hirshfeld Surface projections and Fingerprint plots were elucidated the relative contribution of the H…Cl, C…H, C…C, C…N, H…O intermolecular contacts in the crystal.