THE CRYSTAL AND MOLECULAR STRUCTURE OF BIS(p-NITROPHENACETURO)DIAQUOCOPPER(II)

Abstract
The crystal and molecular structure of [Cu(p-NO2C6 H5CH2CONHCH2CO2)2 (H2O)2] has been determined by single-crystal, x-ray diffraction techniques. The compound is centrosymmetric crystallizing in a monoclinic unit cell (P21/c) with two molecules per unit cell. The cell dimensions are: a = 11.588(1)A, b = 11.405(1)A, c = 8.041(1)Å and β = 93.47 · (1). The structure was solved by Patterson methods and refined to a value of R = 0.063. The coordination about the copper assumes an unexpected square planar geometry in which two phenaceturic moieties are each coordinated through the carboxylic oxygen (Cu—O = 1.933A) and the two waters complete the coordination (Cu—Ow = 1.959Å). The overall conformation of the phenaceturic acid is retained although there is a rotation of 180° about the peptide C—N bond.