Aquaazido{2,2′-[o-phenylenebis(nitrilomethylidyne)]diphenolato}manganese(III) hemihydrate

In the title compound, [Mn(C20H14N2O2)(N3)(H2O)]·0.5H2O, the MnIII ion is chelated by the N,N′,O,O′-tetradentate Schiff base ligand and further coordinated by one azide ion and one water molecule in trans positions, resulting in a distorted fac-MnN3O3 octahedral arrangement. The O atom of the uncoordinated water molecule lies on a crystallographic twofold axis. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds help to establish the packing.

In the title compound, [Mn(C 20

S1. Comment
The synthesis of complexes consisting of salicylaldehyde ligand has attracted continuous research interest not only because of their appealing structural and topological novelty, but also due to their unusual optical, electronic, magnetic, and catalytic properties, as well as their potential medical application (Alam et al., 2003;Zelewsky & von Knof, 1999).
In the present paper, we describe the synthesis and structural characterizations of the title compound, (I), As shown in Fig. 1, each Mn(III) atom is chelated by Schiff base ligand via two N and two O atoms and is additionally coordinated by one azide and a water molecule, forming a distorted octahedral geometry (Table 1) in which, the Schiff base lies in the equatorial plane, and the azide and aqua ligands lie in the axial coordination sites.
With O-H···O and O-H···N hydrogen bonds (Table 2), a three-dimensional network is formed as shown in Fig. 2.

S3. Refinement
All H atoms were placed in calculated positions with C-H = 0.93Å and refined as riding with U iso (H) = 1.2U eq (carrier).
H atom on aqua were located from difference density maps and were refined with distance restraints of O-H = 0.82 (1) Å.  The molecular structure of (I), drawn with 30% probability displacement ellipsoids for the non-hydrogen atoms.

Figure 2
Three-dimensional network formed by hydrogen bonds (dashed lines).  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 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.