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Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans -di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ 2 N , N ')nickel(II) dichloride dihydrate.

Shanmugasundaram AkilaThankakan VidhyasagarAravazhi Amalan ThiruvalluvarKrishnan Rajeswari
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
In the hydrated complex salt, [Ni(C 9 H 14 N 2 ) 2 (H 2 O) 2 ]Cl 2 ·2H 2 O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water mol-ecule. The central nickel(II) atom is located on an inversion center and is coordinated in a trans octa-hedral fashion by four N atoms from two bidentate 1,2-di-amino-1-phenyl-propane ligands in the equatorial plane, and by two oxygen atoms from two water mol-ecules 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%) inter-actions. The crystal void volume was calculated to be 15.17%.
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