4,5-Dihydrobenzo[a]pyrene-4,5-trans-(e,e)-diol.
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.
Zacharias
D E
DE
Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA 19111, USA.
Glusker
J P
JP
Harvey
R G
RG
D001564:Benzo(a)pyrene / Q000378:metabolism*; D002273:Carcinogens / Q000378:metabolism*; D003460:Crystallization; D018360:Crystallography, X-Ray; D004101:Dihydroxydihydrobenzopyrenes / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure
D002273:Carcinogens; D004101:Dihydroxydihydrobenzopyrenes; C015813:4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene; D001564:Benzo(a)pyrene