Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-diaquabis(1-phenylpropane-1,2-diamine-κ2N,N′)nickel(II) dichloride dihydrate

Abstract

In the hydrated complex salt, [Ni(C9H14N2)2(H2O)2]Cl2·2H2O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water molecule. The central nickel(II) atom is located on an inversion center and is coordinated in a trans octahedral fashion by four N atoms from two bidentate 1,2-diamino-1-phenylpropane ligands in the equatorial plane, and by two oxygen atoms from two water molecules occupying the axial sites. The five-membered chelate ring is in a slightly twisted envelope conformation. The crystal packing features O—H...Cl, N—H...O and N—H...Cl hydrogen bonds. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H...H (56.4%), O...H/H...O (16.4%) and H...Cl (13.3%) interactions. The crystal void volume was calculated to be 15.17%.

Keywords

• synthesis
• x-ray crystal structure
• niii complex
• ethylenediamine metal complex
• vicinal diamine derivative
• dft
• hirshfeld surface analysis
• distorted octahedral complex
• trans-ni complex.