catena-Poly[sodium-di-μ-aqua-sodium-bis[μ-2,2,2-trichloro-N-(dimorpholinophosphoryl)acetamide]]

The title compound, [Na2(C10H16Cl3N3O4P)2(H2O)2]n, can be considered as a two-dimensional coordination polymer in which one-dimensional chains are connected to each other by intermolecular C—H⋯O hydrogen bonds involving the water molecules. The NaI ion is five-coordinated in a distorted trigonal-bipyramidal geometry. The connection between the two NaI ions is facilitated by the two μ-O atoms of the carbonyl group of the 2,2,2-trichloro-N-(dimorpholinophosphoryl)acetamide (CAPh) ligand. A bridging coordination of the CAPh ligand via the carbonyl O atom is observed for the first time. The bridging water molecules form intermolecular O—H⋯O hydrogen bonds with the O atoms of the morpholine rings and the phosphoryl groups of neighboring CAPh molecules.

The title compound, [Na 2 (C 10 H 16 Cl 3 N 3 O 4 P) 2 (H 2 O) 2 ] n , can be considered as a two-dimensional coordination polymer in which one-dimensional chains are connected to each other by intermolecular C-HÁ Á ÁO hydrogen bonds involving the water molecules. The Na I ion is five-coordinated in a distorted trigonal-bipyramidal geometry. The connection between the two Na I ions is facilitated by the two -O atoms of the carbonyl group of the 2,2,2-trichloro-N-(dimorpholinophosphoryl)acetamide (CAPh) ligand. A bridging coordination of the CAPh ligand via the carbonyl O atom is observed for the first time. The bridging water molecules form intermolecular O-HÁ Á ÁO hydrogen bonds with the O atoms of the morpholine rings and the phosphoryl groups of neighboring CAPh molecules.

Comment
Carbacylamidophosphate compounds have been attracting substantial interest and are widely used to date. These compounds have been employed in pharmacology as potential novel antibacterial agents and prodrugs (Adams et al., 2002, Kimberly D. Grimes et al., 2008; some carbacylamidophosphates are effective pesticides (Barak et al., 2000). The ability of carbacylamidophosphates to form stable complexes both with transition and non-transition metals via their =P(O)N(H)C(O)-moiety has been investigated extensively by Amirkhanov et al., 1996, Trush et al., 2005, Ovchinnikov et al., 2001, Gholivand et al., 2006, Wenjun Zhang et al., 1992. This paper is devoted to the crystal structure of the sodium salt of 2,2,2-trichloro-N-(dimorpholin-4-yl-phosphoryl)acetamide (HL) NaL and the first fact of bridging coordination of CAPh ligand via carbonyl oxygen. Coordination compounds of 4f-metal ions with HL have been reported earlier (Ovchynnikov et al., 2000, Trush et al., 2002, Trush et al., 2003. The molecular structure of the title compound is shown in Fig. 1. The structure is build up of [C 10 H 18 Cl 3 N 3 NaO 5 P]n chains along [001]. The polymeric chain contains Na atoms, which are five-coordinated by three O atoms of 2 HL molecules and two O atoms of water. Each CAPh ligand links Na + centers via its phosphoryl and carbonyl groups in a chelating manner. Oxygen atom of carbonyl group is a bridging atom between two sodium ions. The value of the trigonality index τ (τ = (β-α)/60, where α and β are the largest coordination angles) (Addison et al., 1984) is 0,049 for Na (1) (Table 1). But the P-N amide distance is shortened upon coordination, indicating the presence of π-conjugation in the coordinated anion. Carbonyl group oxygen forms two types of bonds with Na: intrachelating bond O-Na is some longer, than bond with other Na atom. The bridging water molecules are involved in hydrogen bonding interactions (Table 1)

Experimental
The synthesis of HL was carried out according to the method described early (Ovchynnikov et al., 1998). supplementary materials sup-2 HL (0,38 g, 1 mmol) was dissolved in methanol (10 ml) and added to 10 ml of sodium methoxide (0,023 g, 1 mmol of Na in methanol). After 20 min the solution was evaporated and the residue was dissolved in water. The resulting clear solution was left at ambient temperature for crystallization in air. The crystals were separated by filtration after 48 h and dried in air.

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 > 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