Crystal structure of dichloro(O-methyl N-allylthiocarbamato)palladium(II)

Abstract

The crystal structure of dichloro(O-methyl N-allylthiocarbamato)palladium(II), Pd[C₃H₅·NH·C(OMe)S]Cl₂, has been determined by three-dimensional single-crystal X-ray analysis. The complex crystallises in the orthorhombic space group P2₁2₁2₁, with a= 8·746, b= 15·163, c= 7·322 Å, and Z= 4. The structure was solved by Patterson and Fourier syntheses, and refined by least-squares analysis to a final R of 0·098 for 984 observed and independent reflections.

The complex consists of a palladium atom co-ordinated, in an approximately planar configuration, by two chlorine atoms and a bidentate ligand; the two donor functions in the ligand are the sulphur atom and the olefinic double bond. The Pd–S and Pd–Cl distances are 2·296 ± 0·006 and 2·34 ± 0·01 Å, respectively. The distances between palladium and the two double-bonded allylic carbons are equal (2·14 ± 0·02 Å) whilst the non-bonded Pd–C distance is 3·05 Å.