Synthesis and Crystal Structure of Novel Macrocyclic Molecule: {[Ni(C26H20N6S2)Cl2]2}(H2O)2

Abstract

A novel Ni(II) complex with the formula ({[Ni(C₂₆H₂₀N₆S₂)Cl₂]₂}(H₂O)₂) was synthesized by pyridyl-pyrimidinyl dithioethers and NiCl₂, as the dinuclear [2+2] macrocyclic motif. The present compound shows six-coordinate core (NiN₄Cl₂), which is distorted octahedral geometry and led to a novel 3D supramolecular complex by the intermolecular hydrogen bonds interactions among the adjacent dinuclear units. The crystal is monoclinic crystal system, space group P2₁/c with unit cell parameters: a = 11.9071(11) Å, b = 11.7096(11) Å, c = 19.2484(18) Å, a = 90.00º, b = 101.886(2)º, g = 90.00º, V = 2626.2(4) ų, Z = 2, M_r = 1256.45, D_c = 1.589 g/cm³, μ = 1.135 m m^-1, F₍₀₀₀₎ = 1288.0, R = 0.0633, wR = 0.1718 for 2869 reflections with I > 2s(I).