[1,2-Bis(diphenylphosphanyl)ethane-κ2 P,P′]dichloridopalladium(II) dimethyl sulfoxide monosolvate

In the title compound, [PdCl2(C26H24P2)]·C2H6OS, the PdII atom adopts a distorted cis-PdCl2P2 square-planar coordination geometry. The five-membered chelate ring adopts an envelope conformation with a methylene C atom in the flap position. The S and C atoms of the dimethyl sulfoxide (DMSO) solvent molecule are disordered over two sets of sites in a 0.8976 (18):0.1024 (18) ratio. The DMSO O atom accepts three C—H⋯O hydrogen bonds from an adjacent complex molecule.

In the title compound, [PdCl 2 (C 26 H 24 P 2 )]ÁC 2 H 6 OS, the Pd II atom adopts a distorted cis-PdCl 2 P 2 square-planar coordination geometry. The five-membered chelate ring adopts an envelope conformation with a methylene C atom in the flap position. The S and C atoms of the dimethyl sulfoxide (DMSO) solvent molecule are disordered over two sets of sites in a 0.8976 (18):0.1024 (18) ratio. The DMSO O atom accepts three C-HÁ Á ÁO hydrogen bonds from an adjacent complex molecule.

Experimental
Crystal data [PdCl 2 (C 26  3 restraints H-atom parameters constrained Á max = 0.50 e Å À3 Á min = À0.32 e Å À3 Table 1 Selected bond lengths (Å ).  Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s)  Metal complexes containing chelating diphosphines as ligands have been employed in numerous catalytic processes. A major advantage of these ligands is variation in their potential catalytic reactivity by varying the molecular properties of the phosphine. The title compound was synthesized as a part of our ongoing research to study the properties of metal complexes with chelating ligands.
The compound was evaluated for its b-glucoronidase inhibiton activity against D-saccharic acid as standard (IC 50 45.75 ± 2.16 mM) and found as weak inhibitor (IC 50 197.3 ± 12.2 mM)

Experimental
Equimolar amounts of dichlorobis(acetonitrile) palladium(II) (0.10 g, 0.26 mmol) was dissolved in 10 ml dry dichloromethane and mixed with equivalent amount of 1,2-ethanediylbis(diphenylphosphine) (0.11 g, 0.27 mmol). The resultant mixture was stirred under inert atmosphere (Ar) for about one hour. The solution was concentrated under reduced pressure to 1 ml volume. The product was precipitated by the addition of 30 ml of hexane. Then filtered off, washed with 40 ml of diethyl ether and dried under vacuum to obtained 0.12 g of title compound I (yield 78%). 20 mg of the product was dissolved in 5 ml of dry DMSO for crystallization. After one week, light orange color crystals were obtained which were found to be suitable for X-ray diffraction data collection. All chemicals were purchased from Acros (Belgium).

Refinement
H Atoms on methyl, methylene and methine were positioned geometrically with C-H = 0.96 Å, 0.97 Å and 0.93 Å respectively, and constrained to ride on their parent atoms with U iso (H)= 1.2U eq (CH 2 , CH) and 1.5U eq (CH 3 ).

Figure 1
The molecular structure of (I) with displacement ellipsoids drawn at 30% probability level.  The crystal packing of the title compound I. Only hydrogen atoms involved in hydrogen bonding are shown.  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.

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