{(E)-2-Bromo-4-chloro-6-[3-(dimethylammonio)propyliminomethyl]phenolato}dichloridozinc(II)

The title compound, [ZnCl2(C12H16BrClN2O)], is a mononuclear zinc(II) complex. The ZnII atom is four-coordinate in a tetrahedral geometry, binding to the phenolate O and imine N atoms of the zwitterionic Schiff base ligand and to two Cl− ions. In the crystal structure, molecules are linked through intermolecular N—H⋯Cl hydrogen bonds to form chains running along the a axis.

The title compound, [ZnCl 2 (C 12 H 16 BrClN 2 O)], is a mononuclear zinc(II) complex. The Zn II atom is four-coordinate in a tetrahedral geometry, binding to the phenolate O and imine N atoms of the zwitterionic Schiff base ligand and to two Cl À ions. In the crystal structure, molecules are linked through intermolecular N-HÁ Á ÁCl hydrogen bonds to form chains running along the a axis.
crystal structures of such complexes, we report herein the crystal structure of the title compound, (I), Fig. 1.
Compound (I) is a mononuclear zinc(II) complex. The Zn II atom is four-coordinate in a tetrahedral geometry, binding to the phenolate O and imine N atoms of the zwitterionic Schiff base ligand and two Clions. The coordinate bond values (Table 1) are comparable to those reported in other similar zinc(II) complexes (Wang, 2007;Ali et al., 2008;You, 2005).
In the crystal structure, molecules are linked through intermolecular N-H···Cl hydrogen bonds, Table 2, to form chains running along the a axis ( Fig. 2).
Experimental 3-Bromo-5-chlorosalicylaldehyde (0.1 mmol, 23.5 mg), N,N-dimethylpropane-1,3-diamine (0.1 mmol, 10.2 mg), and zinc(II) chloride (0.1 mmol, 13.6 mg) were dissolved in a methanol solution (10 ml). The mixture was stirred at room temperature for 30 min to give a clear colorless solution. Crystals of the compound were formed by slow evaporation of the solvent over a week at room temperature.

Refinement
Atom H2 on the amine N2 atom was located from a difference Fourier map and refined isotropically, with the N-H distance restrained to 0.90 (1) Å, and with U iso (H) fixed at 0.08 Å 2 . The remaining H atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms with C-H distances in the range 0.93-0.97 Å, and with U iso (H) = 1.2 or 1.5U eq (C). Fig. 1. Molecular structure of (I) with displacement ellipsoids drawn at the 30% probability level.

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 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.