Crystal structure of {N 1,N 3-bis-[(1-tert-butyl-1H-1,2,3-triazol-4-yl)methyl-idene]-2,2-di-methyl-propane-1,3-di-amine}-bis-(thio-cyanato)-iron(II).

The unit cell of the title compound, [FeII(NCS)2(C19H32N8)], consists of two charge-neutral complex mol-ecules. In the complex mol-ecule, the tetra-dentate ligand N 1 ,N 3-bis-[(1-tert-butyl-1H-1,2,3-triazol-4-yl)methyl-ene]-2,2-di-methyl-propane-1,3-di-amine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole and aldimine groups. Two thio-cyanate anions, also coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring mol-ecules are linked through weak C-H⋯C/S/N inter-actions into a three-dimensional network. The inter-mol-ecular 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 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 inter-actions involved in the crystal structure.

Bis{2-hydroxy-imino-N'-[1-(2-pyrid-yl)ethyl-idene]propanohydrazidato}zinc(II) dihydrate.

The title compound, [Zn(C(10)H(11)N(4)O(2))(2)]·2H(2)O, was prepared by the reaction between Zn(CH(3)COO)(2)·2H(2)O and 2-hydroxy-imino-N'-[1-(2-pyrid-yl)ethyl-idene]propano-hydrazide (Hpop). The central Zn(II) atom has a distorted tetra-gonal-bipyramidal coordination geometry formed by two amide O atoms and four N atoms of two azomethine and two pyridine groups. In the crystal, complex mol-ecules form layers parallel to the crystallographic b direction. The layers are connected by O-H⋯N and O-H⋯O hydrogen bonds involving the solvent water mol-ecules.