Bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κS][2,4,6-tris(pyridin-2-yl)-1,3,5-triazine-κ3 N 1,N 2,N 6]zinc dioxane sesquisolvate

The asymmetric unit of the title compound, [Zn(C4H8NOS2)2(C18H12N6)]·1.5C4H8O2, comprises a Zn-containing molecule and one and a half dioxane molecules as one of the solvent molecules is located about a crystallographic inversion centre. The approximately square-pyramidal N3S2 donor set is defined by two monodentate dithiocarbamate ligands and two pyridine and one triazine N atom from the tridentate triazine ligand. Molecules are connected into a supramolecular array via O—H⋯S and O—H⋯N hydrogen bonds. These stack along the b axis and the solvent molecules reside in the channels thus formed.

The asymmetric unit of the title compound, [Zn(C 4 H 8 NOS 2 ) 2 -(C 18 H 12 N 6 )]Á1.5C 4 H 8 O 2 , comprises a Zn-containing molecule and one and a half dioxane molecules as one of the solvent molecules is located about a crystallographic inversion centre. The approximately square-pyramidal N 3 S 2 donor set is defined by two monodentate dithiocarbamate ligands and two pyridine and one triazine N atom from the tridentate triazine ligand. Molecules are connected into a supramolecular array via O-HÁ Á ÁS and O-HÁ Á ÁN hydrogen bonds. These stack along the b axis and the solvent molecules reside in the channels thus formed.

Experimental
Crystal data [Zn(C 4   3.590 (3) Å, respectively. The observed tridentate mode of coordination of the triazine molecule is often observed in its metal complexes (Therrin, 2011).
The resultant N 3 S 2 donor set defines a square pyramid. This assignment is based on the value calculated for τ of 0.07 for the Zn atom, which compares to the τ values of 0.0 and 1.0 for ideal square pyramidal and trigonal bipyramidal geometries, respectively (Spek, 2009;Addison et al., 1984).
The presence of O-H···S and O-H···N hydrogen bonding leads to supramolecular layers in the ac plane, Fig. 2 and Table 2. The dioxane molecules occupy channels in the crystal structure as highlighted in Fig. 3.

Refinement
C-bound H-atoms were placed in calculated positions (C-H 0.95-0.99 Å) and were included in the refinement in the riding model approximation with U iso (H) set to 1.2-1.5U eq (C

Figure 1
Molecular structure of (I) showing atom-labelling scheme and displacement ellipsoids at the 50% probability level. The O5-dioxane molecule is centrosymmetric and the unlabelled atoms are related by 1 -x, y, 1 -z. Unit-cell contents in (I) viewed in projection down the a axis. The dioxane molecules are presented in space filling mode.  Special details Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.