Abstract

The structures of 2-(diphenylphosphino)benzylmethylether (1) and bis(2-(diphenylphosphino)benzylmethylether)palladium(II)triflate (2) have been determined by X-ray crystallography. The Pd-compound (2) is a potential catalyst in organic synthesis and was prepared by treating tetrakisacetonitrile-palladium-bistriflate with 2-(diphenylphosphino)benzylmethylether in toluene for 16h at room temperature.The organic compound (1) crystallises in the monoclinic space group P21/a with cell dimensions a=7.873(2)Å, b=14.805(3)Å, c=14.262(5)Å, β=91.34(3)°, V=1662.0(8)Å3 and Z=4. The Pd-compound (2) crystallises in the triclinic space group.P1 with cell dimensions a=10.2886(6), b=13.951(1), c=15.6339(9)Å, α=89.171(5), β=73.791(5), γ=83.463(6)°, V=2140.5(2)Å3 and Z=2. Both structures were solved by direct methods and the refinements resulted in the R-values 0.066 and 0.052 for (1) and (2) respectively.The bi-dentate ligand binds to palladium(II) in a cis-configuration. The Pd–O distances are 2.153(3) and 2.142(3)Å and the Pd–P distances 2.252(1) and 2.256(1)Å. The effects of packing and metal complexation on the geometry of (1) are discussed and the differences are compared by half-normal probability plot analysis.

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