The influence of metal coordination on ligand geometry: The structures of 2-(diphenylphosphino)benzylmethylether and bis(2-(diphenylphosphino)benzylmethylether)palladium(II)triflate

The structures of 2-(diphenylphosphino)benzylmethylether (1) and bis(2- (di phenylphosphino)benzylmethylether)palladium- (II)triflate (2) have been det ermined by X-ray crystallography. The Pd-compound (2) is a potential cataly st in organic synthesis and was prepared by treating tetrakisacetonitrile-p alladium-bistriflate with 2-(diphenylphosphino)benzylmethylether in toluene for 16 h at room temperature. The organic compound (1) crystallises in the monoclinic space group P2(1)/a with cell dimensions a = 7.873(2)Angstrom, b = 14.805(3) Angstrom, c = 14. 262(5) Angstrom, beta = 91.34(3)degrees, V = 1662.0(8)Angstrom(3) and Z = 4 . The Pd-compound (2) crystallises in the triclinic space group. <(P1)over bar> with cell dimensions a = 10.2886(6), b = 13.951(1), c = 15.6339(9) Ang strom, alpha = 89.171(5), beta = 73.791(5), gamma = 83.463(6)degrees, V = 2 140.5(2) Angstrom(3) and Z = 2. Both structures were solved by direct metho ds 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) Angstrom and the Pd-P distances 2.25 2(1) and 2.256(1) Angstrom. The effects of packing and metal complexation o n the geometry of (1) are discussed and the differences are compared by hal f-normal probability plot analysis. (C) 1999 Elsevier Science B.V. All righ ts reserved.