{4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato-κ3 S,N,O}(triphenylphosphane-κP)nickel(II)

The NiII atom in the title complex, [Ni(C13H8BrNOS)(C18H15P)], is coordinated by the N, O and S atoms of the dianionic tridentate ligand, and its square-planar geometry is completed by a phosphane P atom. The dihedral angle between the aromatic rings in the 4-bromo-2-[(2-sulfidophenyl)iminomethyl]phenolate ligand is 2.01 (14)°. The most prominent feature of the packing is the presence of supramolecular chains aligned along the a axis, mediated by C—H⋯S interactions.

The Ni II atom in the title complex, [Ni(C 13 H 8 BrNOS)-(C 18 H 15 P)], is coordinated by the N, O and S atoms of the dianionic tridentate ligand, and its square-planar geometry is completed by a phosphane P atom. The dihedral angle between the aromatic rings in the 4-bromo-2-[(2-sulfidophenyl)iminomethyl]phenolate ligand is 2.01 (14) . The most prominent feature of the packing is the presence of supramolecular chains aligned along the a axis, mediated by C-HÁ Á ÁS interactions.
The most prominent interactions in the crystal structure are of the type C-H···S, Table 2

Refinement
The H-atoms were placed in calculated positions (C-H 0.93 Å) and were included in the refinement in the riding model approximation, with U iso (H) set to 1.2U equiv (C). A reflection, i.e. (2 0 0), was omitted from the final refinement owing to poor agreement. Fig. 1. The molecular structure of (I) showing displacement ellipsoids at the 35% probability level.

Special details
Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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.