Molecular Structure of 5-Methylchrysene-7,8-dihydro-7,8-trans-(e,e)-diol

The crystal structure of the weak carcinogen 5-methylchrysene-7,8-dihydro-7,8-trans-(e,e)-diol is reported. This molecule contains a distorted bay region as a result of the presence of the 5-methyl group as found in 5-methylchrysene and 5,6- and 5, 12-dimethylchrysene. One torsion angle in this bay region is 20. The two hydroxyl groups of this molecule form hydrogen bonds throughout the crystal along theb direction. This is similar to the packing in other crystal structures of dihydrodiols of polycyclic aromatic hydrocarbons, each hydroxyl group both receiving and donating one hydrogen bond.