Methanol{2-methoxy-6-[(2-oxidopropyl)iminomethyl]phenolato}dioxidomolybdenum(VI)

In the structure of the title compound, [Mo(C11H13NO3)O2(CH3OH)], the MoVI ion is octahedrally coordinated by two oxide O atoms, the N atom and two deprotonated OH groups of the tridentate Schiff base ligand 2-methoxy-6-[(2-oxidopropyl)iminomethyl]phenolate and by a methanol O atom. In the crystal structure, two complexes are linked via O—H⋯O hydrogen bonds, yielding a centrosymmetric arrangement involving the methanol hydroxy group and one of the ligand O atoms coordinated to the MoVI ion.

In the structure of the title compound, [Mo(C 11 H 13 NO 3 )O 2 -(CH 3 OH)], the Mo VI ion is octahedrally coordinated by two oxide O atoms, the N atom and two deprotonated OH groups of the tridentate Schiff base ligand 2-methoxy-6-[(2oxidopropyl)iminomethyl]phenolate and by a methanol O atom. In the crystal structure, two complexes are linked via O-HÁ Á ÁO hydrogen bonds, yielding a centrosymmetric arrangement involving the methanol hydroxy group and one of the ligand O atoms coordinated to the Mo VI ion.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FI2093).  (Holm et al., (1996), analytical chemistry, oxidation catalyst (Arnaiz et al., 2000;Sheikhshoaie et al., 2009) and structural chemistry (Abbasi et al., 2008;Monadi et al., 2009;Syamal & Maurya, 1989). In continuation of our interest in this line of research we have prepared the title compound, synthesized by the reaction of MoO 2 (acac) 2 and the Schiff base  ).
In the crystal, complexes are linked via hydrogen bonds, O6-H6O···O1 i [symmetry operation (i) = -x, -y, -z], involving the methanol hydroxy group and a ligand O-atom coordinating to the second Mo atom so forming centrosymmetric dimers (Table 1 and Fig. 2).

Experimental
The title compound was prepared by adding MoO 2 (acac) 2 (0.327 g) to a dry methanolic solution (30 ml) of 2-[(2-hydroxypropylimino)-methyl]-phenol (0.209 g); a 1:1 equimolar ratio. The mixture was then refluxed for 5 h. On cooling a yellow crystalline powder formed, which were filtered off. Crystals of the title complex, suitable for X-ray analysis, were obtained as yellow blocks by slow evaporation at room temperature of a solution in methanol.

Refinement
The OH H-atom was located in a difference electron-density map and refined with a distance restraint of 0.84 (2) Å and U iso (H) = 1.5U eq (parent O-atom). The remaining H atoms could all be located from difference electron-density maps but were included in calculated positions and treated as riding atoms: C-H = 0.95 -1.00 Å, with U iso (H) = k × U eq (parent C-atom), where k = 1.2 for CH and CH 2 H-atoms, and 1.5 for CH 3 H-atoms. Fig. 1. The molecular structure structure of the title compound, showing the numbering scheme and the thermal ellipsoids drawn at the 50% probability level.

Special details
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles Refinement. The OH H-atom was located in a difference electron-density map and refined with a distance constraint of 0.84 (2) Å and U iso (H) = 1.5U eq (parent O-atom). The remainder of the H-atoms could all be located from difference electron-density maps but were included in calculated positions and treated as riding atoms: C-H = 0.95 -1.00 Å, with U iso (H) = k × U eq (parent C-atom), where k = 1.2 for CH and CH 2 H-atoms, and 1.5 for methyl H-atoms. Using the Stoe IPDS1, one-circle image plate diffraction system, it is often only possible to access 94% maximum of the Ewald sphere depending on the crystal system and the position of the crystal. Here however, 98% of the data were accessible out to 25° in θ.