D. Smith, E. Barrett
Feb 15, 1971
Citations
0
Influential Citations
4
Citations
Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
The crystal structure of 2,7-dibromo-4,5-bis-(2-pyridyl)phenanthrene-3,6-diol has been determined from single-crystal X-ray intensity data collected with an automated diffractometer. The crystals are monoclinic, space group 12/a, with four molecules in a unit cell of dimensions a= 13.860 (1), b= 10.869 (1), c= 12.923 (1)~, fl= 94-02 (1) °. The structure was solved by the heavy-atom technique and refined by full-matrix least squares. Hydrogen atoms were located and refined. The final value of the discrepancy factor is R = 0.028. As a result of intramolecular overcrowding the molecule is severely distorted from a planar configuration. However, the bending is distributed over the entire molecule so that the trigonal symmetry of the bonds about any particular carbon atom is not greatly disturbed. The overcrowding has caused some bonds to be lengthened and there is a nonbonded intramolecular contact of 2.8/~.