Bis (3-phenyl-2,4-pentanedionato) Copper. I. Molecular and Crystal Structure

The crystal structure of bis (3-phenyl-2,4-pentanedionato)copper(II) has been determined by the use of three-dimensional Fourier methods and accurate atomic coordinates obtained by three-dimensional least-squares refinements. The crystal belongs to the monoclinic space group P21/c with two molecules per unit cell. The cell parameters are a=10.250 Å; b=6.778 Å; c=13.763 Å; β=93.55°. The final reliability factor (R) is 0.0834. The acetyl carbon skeleton is seen to be tilted by 14° from the plane defined by the copper and oxygen atoms. The phenyl ring is bent slightly down from the acetyl carbon skeletonal plane, and is twisted through a torsional angle of 70° from the mean plane of the chelate ring.