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

In the hydrated complex salt, [Ni(C9H14N2)(2)(H2O)(2)]Cl-2 center dot 2H(2)O, 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 center dot center dot center dot Cl, N-H center dot center dot center dot O and N-H center dot center dot center dot Cl hydrogen bonds. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H center dot center dot center dot H (56.4%), O center dot center dot center dot H/H center dot center dot center dot O (16.4%) and H center dot center dot center dot Cl (13.3%) interactions. The crystal void volume was calculated to be 15.17%.