{4,4′,6,6′-Tetrachloro-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)

The asymmetric unit of the title compound, [Mo(C19H16Cl4N2O2)O2], comprises two independent molecules (A and B). The geometry around the MoVI atom is distorted octahedral in each complex molecule, supported by two oxide O atoms and the N2O2 donor atoms of the coordinating ligand. The dihedral angle between the benzene rings is 74.96 (11) Å for molecule A and 76.05 (11) Å for molecule B. In the crystal, the B molecules are linked by pairs of C—H⋯Cl hydrogen bonds, forming inversion dimers. The crystal structure is further stabilized by C—H⋯π interactions. An interesting feature of the crystal structure is a Cl⋯Cl contact [3.3748 (18) Å], which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).

The asymmetric unit of the title compound, [Mo(C 19 H 16 Cl 4 -N 2 O 2 )O 2 ], comprises two independent molecules (A and B). The geometry around the Mo VI atom is distorted octahedral in each complex molecule, supported by two oxide O atoms and the N 2 O 2 donor atoms of the coordinating ligand. The dihedral angle between the benzene rings is 74.96 (11) Å for molecule A and 76.05 (11) Å for molecule B. In the crystal, the B molecules are linked by pairs of C-HÁ Á ÁCl hydrogen bonds, forming inversion dimers. The crystal structure is further stabilized by C-HÁ Á Á interactions. An interesting feature of the crystal structure is a ClÁ Á ÁCl contact [3.3748 (18) Å ], which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å ).  (1987). For van der Waals radii, see: Bondi (1964).
the crystal structure of Schiff base ligands from different substituted salicylaldehyde and amines and their complexes (Kargar & Kia, 2011;Kia & Fun, 2009) we synthesized and determined the X-ray structure of the title compound.
The asymmetric unit of the title compound comprises two crystallographically independent molecules, A and B, as shown in Fig. 1 In the crystal, the B molecules are linked by a pair of C-H···Cl hydrogen bonds to form inversion dimers (Table 1 and Fig. 2). The crystal structure is further stabilized by intermolecular C-H···π interactions (Table 1). An interesting feature of the crystal structure is a Cl4···Cl4 i contact [3.3748 (18) Å; symmetry code: (i)-x, -y, -z+1; see Fig.3], which is shorter than the sum of the van der Waals radii of Cl atoms [3.50 Å; Bondi 1964].

Refinement
The H-atoms were included in calculated positions and treated as riding atoms: C-H = 0.93, 0.97 and 0.96 Å for CH, CH 2 and CH 3 H-atoms, respectively, with U iso (H) = k × U eq (C), where k = 1.2 for CH, CH 2 and 1.5 for CH 3 .    Table   1 for details).

diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)
Crystal data 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.  0.0315 (9) 0.0309 (9) 0.0302 (9) 0.0000 (7) 0.0064 (7) 0.0037 (7) C12 0.0323 (9) 0.0309 (9) 0.0284 (9) −0.0039 (8) 0.0084 (7) 0.0009 (