{2-[2-(Isopropylamino)ethyliminomethyl]-5-methoxyphenolato}(thiocyanato-κN)nickel(II)

In the title mononuclear complex, [Ni(C13H19N2O2)(NCS)], the NiII ion is coordinated by one phenolate O atom, one imine N atom, and one amine N atom of a 2-[2-(isopropylamino)ethyliminomethyl]-5-methoxyphenolate Schiff base ligand, and by one N atom of a thiocyanate ligand, forming a slightly distorted square-planar geometry.

In the title mononuclear complex, [Ni(C 13 H 19 N 2 O 2 )(NCS)], the Ni II ion is coordinated by one phenolate O atom, one imine N atom, and one amine N atom of a 2-[2-(isopropylamino)ethyliminomethyl]-5-methoxyphenolate Schiff base ligand, and by one N atom of a thiocyanate ligand, forming a slightly distorted square-planar geometry.
The Ni II ion in the title complex is four-coordinated by one phenolate O atom, one imine N atom, and one amine N atom of a Schiff base ligand, and by one N atom of a thiocyanate ligand, forming a slightly distorted square planar geometry ( Fig. 1). The bond lengths (Table 1) involving the Ni atom are comparable to those observed in similar nickel complexes (Wang & Wei, 2006;Wang, 2007).
Experimental 4-Methoxysalicylaldehyde (0.1 mmol, 15.2 mg) and N-isopropylethane-1,2-diamine (0.1 mmol, 10.2 mg) were mixed and stirred in methanol (10 ml) for 30 min. Then a methanol solution (5 ml) of nickel nitrate (0.1 mmol, 29.1 mg) was added to the mixture. The final mixture was stirred for another 30 min to give a red solution. Single crystals suitable for X-ray diffraction were obtained by slow evaporation of the solution at room temperature.

Refinement
Atom H2 was located from a difference Fourier map and refined with an N-H distance restraint of 0.90 (1) Å and U iso (H) = 0.08Å 2 . Other H atoms were positioned geometrically (C-H = 0.93-0.97 Å) and refined using a riding model, with with U iso (H) = 1.2U eq (C) and 1.5U eq (C methyl ). Rotating models were used for the methyl groups. Fig. 1. The molecular structure of the title complex, showing 30% probability displacement ellipsoids and the atom-numbering scheme.

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 > 2sigma(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.