Crystal Structure of Mononuclear Non-Heme Nikel(II) Octahedral Complex: [Ni(bqenH2)(bpy)](ClO4)2·0.125H2O

Abstract

The crystal structure of a mononuclear Ni(II) complex [Ni(bqenH₂)(bpy)](ClO₄)₂·0.125H₂O 1 (where bqenH₂ is N,N′-bis(8-quinolyl)ethane-1,2-diamine, bpy = 2,2′-bipyridine) is reported here. The crystallographic data for 1 are as follows: monoclinic crystal system, P2_1/n space group, a = 17.3255(11), b = 10.6110(7), c = 34.328(2) Å, α = 90°, β = 93.9480(13)°, γ = 90°, V = 6295.8(7) ų, Z = 4, d_x = 1.541 mg/m³. The nickel(II) ion coordinates four N atoms of the tetradentate ligand bqenH₂ and two N atoms of the auxiliary bidentate 2,2′-bipyridine ligand, resulting in a slightly distorted NiN6 octahedron with two perchlorates serving as charge balancing counter anions. The overall structure of 1 is stabilized by the presence of water of crystallization in the crystal lattice. The crystal structure shows two symmetrically identical octahedral NiN6 units in its asymmetric unit. The extensive hydrogen bonding network resulting in a supramolecular architecture is observed due to the N–H⋯O, O–H⋯O, O–H⋯Cl, and N–H⋯Cl interactions.