{[1-(2-Aminoethylamino)-1-methylethyl]phosphonato-κ3 N,N′,O}chloridopalladium(II) monohydrate

In the title compound, [Pd(C5H14N2O3P)Cl]·H2O, the Pd(II) atom shows a slightly distorted square-planar geometry and forms two five-membered metallacycles, which both exhibit half-chair conformations. The crystal structure consists of layers propogating in the [100] direction which are connected into a three-dimensional network by strong N—H⋯Cl, N—H⋯O and O—H⋯O hydrogen bonds.

In the title compound, [Pd(C 5 H 14 N 2 O 3 P)Cl]ÁH 2 O, the Pd(II) atom shows a slightly distorted square-planar geometry and forms two five-membered metallacycles, which both exhibit half-chair conformations. The crystal structure consists of layers propogating in the [100] direction which are connected into a three-dimensional network by strong N-HÁ Á ÁCl, N-HÁ Á ÁO and O-HÁ Á ÁO hydrogen bonds.

Related literature
For general background to the use of organic phosphonic acids as chelating agents in metal extraction and as drugs for the prevention of calcification and bone resorption, see: Matczak-Jon & Videnova-Adrabinska (2005); Tromelin et al. (1986); Szabo et al. (2002). For related structures, see: Shkol'nikova et al. (1991).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2173).
The crystal structure of the title compound forms a layered supramolecular structure, stabilized by strong N-H···Cl, N-H···O and O-H···O hydrogen bonds (Fig.2, Table 1).
Experimental 2-(2-aminoethyl)aminopropan-2-yl-phosphonic acid hydrochloride (0.219 g, 1 mmol) in water (10 ml) was mixed together with a solution of palladium diacetate (0.224 g, 1 mmol, Merck ≥ 99%) in benzene (10 ml). The color of the aqueous phase of the reaction mixture slowly turned to pale yellow. After stirring for 12 h, the aqueous phase of the solution was separated.
Suitable single crystals of the title compound were produced by slow evaporation of water from an aqueous solution at room temperature (yield: 76%). A pale yellow needle-shaped crystal was used for data collection.
Crystal data [Pd(C 5  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.