Crystal structure and Hirshfeld surface analysis of (nitrato-κ² O, O')(1,4,7,10-tetra-aza-cyclo-dodecane-κ⁴ N)nickel(II) nitrate

The crystal structure of the title compound, [Ni(C₈H₂₀N₄)(NO₃)]NO₃, at room temperature, has monoclinic (P2₁/n) symmetry. The structure displays inter-molecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying an equatorial site. The 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) backbone has the [4,8] configuration, with three nitro-gen-bound H atoms directed above the plane of the nitro-gen atoms towards the offset nickel atom with the fourth nitro-gen-bound hydrogen directed below from the plane of the nitro-gen atoms. The nitrate anion O atoms are seen to hydrogen bond to the H atoms bound to the N atoms of the ligand.