{5-Methoxy-2-[(2-morpholinoethyl)iminomethyl]phenolato}(thiocyanato-κN)nickel(II)

In the mononuclear title complex, [Ni(C14H19N2O3)(NCS)], the nickel(II) atom is four-coordinated in a square-planar geometry by the O and N atoms of the tridentate Schiff base ligand and by the N atom of a thiocyanate ligand. The crystal structure is stabilized by intermolecular C—H⋯S and C—H⋯O hydrogen bonds, forming a three-dimensional network.

In the mononuclear title complex, [Ni(C 14 H 19 N 2 O 3 )(NCS)], the nickel(II) atom is four-coordinated in a square-planar geometry by the O and N atoms of the tridentate Schiff base ligand and by the N atom of a thiocyanate ligand. The crystal structure is stabilized by intermolecular C-HÁ Á ÁS and C-HÁ Á ÁO hydrogen bonds, forming a three-dimensional network.
The Ni atom in the title complex is four-coordinate by the phenolate O atom, imine N atom, and amine N atom of the Schiff base ligand, and by the N atom of a thiocyanate ligand, forming a square-planar geometry (Fig. 1). The bond lengths and angles involving the metal atom are comparable with those observed in similar complexes (Montazerozohori et al., 2009;Zhu et al., 2004;Zhu et al., 2006). In the crystal structure, the complex molecules are linked into a three-dimensional network by intermolecular C-H···S and C-H···O hydrogen bonds (Table 1).

Experimental
Equimolar quantities (0.1 mmol) of 4-methoxysalicylaldehyde, N-(2-aminoethyl)morpholine, ammonium thiocyanate, and Ni(CH 3 COO) 2 .4H 2 O were mixed and stirred in a methanol solution for 30 min at reflux. After keeping the filtrate in air for a few days, red block crystals suitable for X-ray analysis were formed.

Refinement
H atoms were placed in calculated 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) = 1.2U eq (C) or 1.5U eq (C) for methyl H atoms. Fig. 1. The molecular structure of the title complex, with displacement ellipsoids drawn at the 30% probability level.

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.