Bis{(E)-4-chloro-2-[(2-chloro-3-pyridyl)iminomethyl-κN]phenolato-κO}copper(II)

In the title complex, [Cu(C12H7Cl2N2O)2], the CuII center is tetracoordinated by two phenolic O and two azomethine N atoms from two bidentate 4-chloro-2-[(2-chloro-3-pyridyl)iminomethyl]phenolate (L) ligands. In the crystal structure, the CuII atom has a distorted square-planar coordination environment. The dihedral angles between the benzene and pyridyl rings are 54.39 (3) and 80.14 (4)°, indicating that the pyridine ring has a considerably weaker steric hindrance. The packing of the molecule is controlled by C—H⋯π(Ph) interactions and short O⋯Cl interactions [3.196 (4) Å], linking the molecules into a chain-like structure along the c axis.

The colour of the mixing solution turned to brown immediately, then allowed to stand at room temperature for several days. With evaporation of the solvent, brown needle-like single crystals suitable for X-ray crystallographic analysis were obtained. IR: ν C=N, 1610 cm -1 , ν Ar-O, 1236 cm -1 , ν Cu-N, 459 cm -1 and ν Cu-O, 426 cm -1 .

S3. Refinement
H atoms were treated as riding atoms with distances C-H = 0.93 Å (CH), and U iso (H) = 1.2U eq (C).  The molecular structure of the title complex with atom numbering scheme. Displacement ellipsoids for non-hydrogen atoms are drawn at the 30% probability level.

Figure 2
The infinite one-dimensional supramolecular structure along c axis linked by C-H···π(Ph) interactions and short O···Cl interactions (dashed lines).

Bis{(E)-4-chloro-2-[(2-chloro-3-pyridyl)iminomethyl-κN]phenolato-κO}copper(II)
Crystal data [Cu(C 12 H 7  where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.001 Δρ max = 0.42 e Å −3 Δρ min = −0.39 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.

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