1968 Volume 41 Issue 9 Pages 2007-2017
The crystal structure of the copper(II) chelate of N,N′-ethylenebis(l-ephedrine), where two molecules of l-ephedrine are connected through an ethylene group, has been determined by three dimensional X-ray analysis. The dimensions of the orthorhombic unit cell with the space group P212121-D24 are a=8.431, b=15.92, c=16.70 Å,Z=4 and ρ0=1.34g/cm3. The intensity data were collected by multiple film technique, and the structure was determined by the heavy atom method. The positions of the copper atom simulated the symmetry of a higher space group than that of P212121 and the phases calculated from them gave two pseudo mirrors in the Fourier map based on the copper atom only. The structural determination was made with the use of the methods of successive approximations and diagonal and block diagonal least-squares. The problems concerning the pseudo mirrors were solved mainly from the behaviors of the thermal parameters. The final results were obtained by correcting some unsuitable positional and thermal parameters found by the block diagonal least-squares refinement. The final R-factor is 13.0%. The structure shows that two crystalline water molecules do not coordinate to the copper atom and that the N–C–C–N bridge causes distortion of the square planar coordination around the copper atom.
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