A second solvatomorph of poly[[μ-,'-(1,3,5-oxadiazinane-3,5-di-yl)bis-(carbamoyl-methano-ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization.

The title compound, poly[tri-aqua-bis-[μ-,'-(1,3,5-oxadiazinane-3,5-di-yl)bis(carbamoyl-methano-ato)]dinickel(II)tetra-potassium], [KNi(CHNO)(HO)] , is a second solvatomorph of poly[(μ-,'-(1,3,5-oxadiazinane-3,5-di-yl)bis-(carbamoyl-methano-ato)nickel(II)dipotassium] reported previously [Plutenko (2021 ▸). E, 298-304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(CHNO)], which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion.

Crystal structure of { , -bis-[(1--butyl-1-1,2,3-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, [Fe(NCS)(CHN)], consists of two charge-neutral complex mol-ecules. In the complex mol-ecule, the tetra-dentate ligand -bis-[(1--butyl-1-1,2,3-triazol-4-yl)methyl-ene]-2,2-di-methyl-propane-1,3-di-amine coordinates to the Fe 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.

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

The unit cell of the title compound, [Fe(NCS)(CHNO)], consists of eight charge-neutral complex mol-ecules. In the complex mol-ecule, the tetra-dentate ligand , -bis-{[1-(4-meth-oxy-benz-yl)-1-1,2,3-triazol-4-yl]methyl-ene}-2,2-di-methyl-propane-1,3-di-amine coordinates to the Fe ion through the N atoms of the 1,2,3-triazole and aldimine groups. Two thio-cyanate anions, coordinated through their N atoms, complete the coordination sphere of the central Fe ion.

Crystal structure and Hirshfeld surface analysis of poly[[bis-[μ-,'-(1,3,5-oxadiazinane-3,5-di-yl)bis(carbamoyl-methano-ato)]nickel(II)tetra-potassium] 4.8-hydrate].

The title compound, {[KNi(CHNO)]·4.8HO} , was obtained as a result of a template reaction between oxalohydrazide-hydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed inter-mediate. The two independent [Ni(CHNO)] complex anions exhibit pseudo- symmetry and consist of an almost planar metal-containing fragment and a 1,3,5-oxadiazinane ring with a chair conformation disposed nearly perpendicularly with respect to the former.