cis-Diaquabis[dimethyl (phenylsulfonylimino)phosphonato]cobalt(II)

In the title diaquacobalt complex, [Co(C8H11NO5PS)2(H2O)2], the CoII atom is surrounded by six O atoms belonging to the phosphoryl and sulfonyl groups of two deprotonated chelate ligands and two additional O atoms from water molecules which are in cis positions with respect to one another. The coordination environment of cobalt can be described as a distorted octahedron. O—H⋯O hydrogen bonds between the water and sulfonyl O atoms of neighboring molecules form chains running parallel to [010]. Two methoxy groups attached to one phosphorus are disordered over two sets of sites in a 0.6:0.4 ratio.

In the title diaquacobalt complex, [Co(C 8 H 11 NO 5 PS) 2 (H 2 O) 2 ], the Co II atom is surrounded by six O atoms belonging to the phosphoryl and sulfonyl groups of two deprotonated chelate ligands and two additional O atoms from water molecules which are in cis positions with respect to one another. The coordination environment of cobalt can be described as a distorted octahedron. O-HÁ Á ÁO hydrogen bonds between the water and sulfonyl O atoms of neighboring molecules form chains running parallel to [010]. Two methoxy groups attached to one phosphorus are disordered over two sets of sites in a 0.6:0.4 ratio.

Experimental
Crystal data [Co(C 8 H 11 Table 1 Hydrogen-bond geometry (Å , ).  et al., 2004). The phosphorylated sulfonylamides, RSO 2 NHP(O)(R') 2 (SAPh), present such type of heterosubstituted structural analogues with different substituents at sulfur and phosphorus atoms. In the past few decades SAPh have been intensively used as bactericidal agents in medicine and toxicology (Xu & Angell, 2000). Some of them are effective pesticides (Kishino & Saito, 1979). So a variety of new s-, d-, and f-metals based coordination compounds containing this type of phosphoramides have been synthesized. Structural investigation of compounds with phosphorylated sulfonylamide ligands have already been reported (Moroz et al., 2009, Shatrava et al., 2010. Herein we report the structure of the title compound containing one of the simplest representative of this class of ligands: the dimethyl(phenylsulfonyl)amidophosphate.
The crystal structure of CoL 2 2H 2 O (I) is built up from non-centrosymmetric molecular species with the two water molecules in cis-position to each other. The CoO 6 fragment is formed by two oxygen atoms of water molecules and four oxygen atoms of phosphoryl and sulfonyl groups from two ligands which are coordinated in bidentate chelating mode (Fig.   1). The coordination environment of cobalt can be described as a distorted octahedron.
O-H···O intermolecular hydrogen bonds between the water and non-coordinated sulfonyl oxygen atoms and coordinated phosphoryl groups of neighboring SAPh molecules (Table 1)

Experimental
The sodium salt (NaL) was prepared by the reaction between equimolar amounts of sodium isopropylate (0,023 g, 1 mmol of Na was solved in 2-propanol) and HL (0,2652 g, 1 mmol) in an 2-propanol medium and was used for preparation of complexes without isolation from the reaction mixture.
supplementary materials sup-2 Refinement All H atoms attached to C atoms were fixed geometrically and treated as riding with C-H = 0.96 Å (methyl) or 0.93 Å (aromatic) with U iso (H) = 1.2U eq (Caromatic) or U iso (H) = 1.5U eq (Cmethyl). H atoms of water molecule were located in difference Fourier maps and included in the subsequent refinement using restraints (O-H= 0.85 (1)Å and H···H= 1.39 (2)Å) with U iso (H) = 1.5U eq (O). In the last cycles of refinement, they were treated as riding on their parent oxygen atoms.
Two methoxy groups attached to one phosphorus are disordered over two positions. Two sets of positions were then defined for the atoms of these groups and the site occupation factors of each conformation were refined while restraining their sum to unity. The site occupation factor of the major conformation refined to 0.585 (5). Then the occupancy factors were fixed to 0.6 and 0.4 respectively for the two components. The O-C distances were restrained to have chemically reasonable bond values of 1.45(0.02)Å.

Special details
Experimental. Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
CrysAlisPRO (Oxford Diffraction, 2009) 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq Occ. supplementary materials sup-9