Synthesis and Structure of a Palladium(II) Chloride Complex with 2-(2-Methyl-3-phenyl-isoxazolidin-5-yl)-pyridine

Abstract

The 1:1 complex of palladium(II) chloride with 2-(2-methyl-3-phenyl-isoxazolidin-5-yl)- pyridine (L) has been prepared and studied by means of elemental analysis, 1H NMR spectroscopy and X-ray diffraction (monoclinic, space group P21/n with parameters: a = 8.141(2), b = 9.750(2),c = 20.691(6)Å ,β = 95.62(3)°,V = 1634.4(7)Å3 ,Z = 4 ;R1= 0.054 and wR2= 0.144 for 3352 unique reflections). A square-planar coordination polyhedron has been established for the palladium atom both in acetone solution and in the solid state. The organic ligand is coordinated toometal in a bidentate manner via nitrogen atoms of the pyridine substituent (Pd-N(2) 2.125(3) Å) and the isoxazolidine heterocycle (Pd-N(l) 2.102(3) Å). The other two coordination positions of palladium are occupied by chlorine atoms (Pd-Cl(l) 2.321(1) and Pd-Cl(2) 2.333(1) Å). The six-membered chelate ring formed by Pd, N(2), C(4), C(1), 0(1) and N (1) possesses a “twist-tub” conformation. The isoxazolidine cycle has an envelope conformation with an equatorial orientation of the methyl group.