4,5-Dihydrobenzo[a]pyrene-4,5-trans-(e,e)-diol

Acta Crystallogr C. 1995 Oct 15:51 ( Pt 10):2096-8. doi: 10.1107/s0108270195003489.

Abstract

The title compound, C20H14O2, is a metabolite of the chemical carcinogen benzo[a]pyrene. The crystal structure consists of groups of molecules in each of which both hydroxy groups donate and accept hydrogen bonds. Stacking of dihydrobenzo[a]pyrene ring systems occurs along the crystallographic c axis.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Benzo(a)pyrene / metabolism*
  • Carcinogens / metabolism*
  • Crystallization
  • Crystallography, X-Ray
  • Dihydroxydihydrobenzopyrenes / chemistry*
  • Models, Molecular
  • Molecular Structure

Substances

  • Carcinogens
  • Dihydroxydihydrobenzopyrenes
  • 4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene
  • Benzo(a)pyrene