[(Z)-1-Amino-2-cyano-2-(4,6-di-2-pyridylpyrimidin-2-yl)ethenolato]chlorido(N,N-dimethylformamide-κO)zinc(II)

In the title complex, [Zn(C17H11N6O)Cl(C3H7NO)], the ZnII atom has a distorted square-pyramidal coordination formed by one Cl, two O and two N atoms. In the crystal structure, intermolecular N—H⋯Cl hydrogen bonds link molecules into centrosymmetric dimers, which are further assembled by π–π interactions [centroid–centroid distances = 3.809 (3) and 3.834 (3) Å] into layers parallel to the ab plane. The crystal packing exhibits also weak intermolecular C—H⋯Cl interactions.

In the title complex, [Zn(C 17 H 11 N 6 O)Cl(C 3 H 7 NO)], the Zn II atom has a distorted square-pyramidal coordination formed by one Cl, two O and two N atoms. In the crystal structure, intermolecular N-HÁ Á ÁCl hydrogen bonds link molecules into centrosymmetric dimers, which are further assembled by interactions [centroid-centroid distances = 3.809 (3) and 3.834 (3) Å ] into layers parallel to the ab plane. The crystal packing exhibits also weak intermolecular C-HÁ Á ÁCl interactions.

Experimental
Crystal data [Zn(C 17 Table 1 Hydrogen-bond geometry (Å , ).   Recently, self-assembly of specially designed metal complexes have attracted intense attention due to their fascinating molecular structures and crystal-packing motifs (Chi et al., 2008). Several metal complexes with ligands containig heterocyclic pyrimidine and pyridine units have been studied previously to explore the role of hydrogen bonding in supramolecular assemblies (Patroniak et al., 2005;Kovbasyuk et al., 2005). Herein, we report the crystal structure of the title compound (I).
In the crystal structure, intermolecular N-H···Cl hydrogen bonds (Table 2) link molecules into centrosymmetric dimers, which are further assembled by π-π interactions (Table 1) into layers parallel to ab plane. The crystal packing exhibits also weak intermolecular C-H···Cl interactions (Table 2).
supplementary materials sup-2 Refinement All H atoms, except H1, were fixed geometrically and allowed to ride on their attached atoms, with C-H distances constrained to 0.93-0.96Å, N-H = 0.86 Å, and with U iso (H) = 1.2-1.5U eq (C, N). Atom H1 was located on a difference map and refined isotropically. Fig. 1. The structure of the title compound showing 50% probability displacement ellipsoids and the atom-numbering scheme.

Figures
Crystal data [Zn(C 17

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > σ(F 2 ) is used only for calculating Rfactors(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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq Geometric parameters (Å, °)