Crystal structure of {N1,N3-bis­­[(1-tert-butyl-1H-1,2,3-triazol-4-yl)methyl­­idene]-2,2-di­methyl­propane-1,3-di­amine}­bis­­(thio­cyanato)­iron(II)

The unit cell of the title compound, [FeII(NCS)2(C19H32N8)], consists of two charge-neutral complex mol­ecules. In the complex mol­ecule, the tetra­dentate ligand N1,N3-bis­[(1-tert-butyl-1H-1,2,3-triazol-4-yl)methyl­ene]-2,2-di­methyl­propane-1,3-di­amine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole and aldimine groups. Two thio­cyanate anions, also coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring mol­ecules are linked through weak C—H⋯C/S/N inter­actions into a three-dimensional network. The inter­mol­ecular contacts were qu­anti­fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 50.8%, H⋯C/C⋯H 14.3%, H⋯S/S⋯H 20.5% and H⋯N/N⋯H 12.1%. The average Fe—N bond distance is 2.170 Å, indicating the high-spin state of the FeII ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements. DFT calculations of energy frameworks at the B3LYP/6–31 G(d,p) theory level were performed to account for the inter­actions involved in the crystal structure.