Crystal structure of [2-({4-[2,6-bis(pyridin-2-yl)pyridin-4-yl]phenyl}(methyl)amino)ethanol-κ3 N,N′,N′′]bis(thiocyanato-κN)zinc N,N-dimethylformamide monosolvate

In the title compound, [Zn(NCS)2(C24H22N4O)]·C3H7NO, the ZnII cation is N,N′,N′′-chelated by one 2-({4-[2,6-bis(pyridin-2-yl)pyridin-4-yl]phenyl}(methyl)amino)ethanol ligand and coordinated by two thiocyanate anions in a distorted N5 trigonal–bipyramidal geometry. In the molecule, the three pyridine rings are approximately coplanar [maximum deviation = 0.026 (5) Å], and the mean plane of the three pyridine rings is twisted to the benzene ring with a small dihedral angle of 5.9 (2)°. In the crystal, complex molecules are linked by weak C—H⋯O hydrogen bonds into supramolecular chains propagated along [110]; π–π stacking is observed between adjacent chains [centroid–centroid distance = 3.678 (4) Å]. The dimethylformamide solvent molecules are linked with the complex chains via weak C—H⋯O hydrogen bonds.


Related literature
Hydrogen-bond geometry (Å , ). chemistry and material (Nie et al., 2014;Kharat et al., 2012). In turn, countless Zn terpyridine complexes have been surveyed and their crystals were demonstrated. However, the crystal of Zn(SCN) 2 terpyridine complexes are rarely mentioned (Eryazici et al., 2008). In this paper, we report the crystal structure of the terpyridine-Zinc complex. The molecular structure with the numbering scheme is shown in Fig. 1, the Zn II is coordinated by three N atoms from terpyridine ligand and two thiocyanate anions in a highly distorted square-pyramidal trigonal bipyramidal geometry.

S3. Refinement
All hydrogen atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms, with O-H = 0.96 and C-H = 0.93-0.97 Å, U iso (H) = 1.5U eq (O,C) for hydroxyl and methyl H atoms and 1.2U eq (C) for the others.

Figure 1
The molecular structure of the title compound, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms have been omitted.

Figure 2
The one-dimensional chain structure of the title compound, Hydrogen atoms are omitted for clarity.

Figure 3
The two-dimensional networks of the title compound, Hydrogen atoms are omitted for clarity.  Hydrogen site location: inferred from neighbouring sites H-atom parameters constrained

[2-({4-[2,6-Bis(pyridin-2-yl)pyridin-4-yl]phenyl}(methyl)amino)ethanol-κ 3 N,N′,N′′]bis(thiocyanato-κN)zinc N,N-
where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.006 Δρ max = 0.87 e Å −3 Δρ min = −0.72 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'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 > σ(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.