Crystal structure of bis-{5-(4-chloro-phen-yl)-3-[6-(1 H -pyrazol-1-yl)pyridin-2-yl]-1 H -1,2,4-triazol-1-ido}nickel(II) methanol disolvate

The unit cell of the title compound, [Ni(C H ClN ) ]·2CH OH, consists of a neutral complex and two methanol mol-ecules. In the complex, the two tridentate 2-(3-(4-chloro-phen-yl)-1 -1,2,4-triazol-5-yl)-6-(1 -pyrazol-1-yl)pyridine ligands coordinate to the central Ni ion through the N atoms of the pyrazole, pyridine and triazole groups, forming a pseudo-octa-hedral coordination sphere. Neighbouring tapered mol-ecules are linked through weak C-H(pz)⋯π(ph) inter-actions into monoperiodic chains, which are further linked through weak C-H⋯N/C inter-actions into diperiodic layers. The inter-molecular contacts were qu-anti-fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 32.8%, C⋯H/H⋯C 27.5%, N⋯H/H⋯N 15.1%, and Cl⋯H/H⋯Cl 14.0%. The average Ni-N bond distance is 2.095 Å. Energy framework analysis at the HF/3-21 G theory level was performed to qu-antify the inter-action energies in the crystal structure.