Journal Article

Dibenzo[a,l]pyrene (dibenzo[def,p]chrysene): fjord-region distortions.

A K Katz, H L Carrell and J P Glusker

in Carcinogenesis

Volume 19, issue 9, pages 1641-1648
Published in print January 1998 | ISSN: 0143-3334
Published online January 1998 | e-ISSN: 1460-2180 | DOI:
Dibenzo[a,l]pyrene (dibenzo[def,p]chrysene): fjord-region distortions.

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The molecular dimensions of the potent chemical carcinogen dibenzo[def,p]chrysene, also known as dibenzo[a,l]pyrene, have been determined by X-ray diffraction methods. This analysis shows that the molecule is considerably distorted so that it is non-planar with an angle of 27.6 degrees between the outermost rings and a widening of C-C-C bond angles in the fjord region. The dimensions of the molecular distortion due to atomic overcrowding in the fjord region are presented. This polycyclic aromatic hydrocarbon is a more potent carcinogen than is benzo[a]pyrene or its 11-methyl derivative. Comparisons of the distortions in dibenzo[a,l]pyrene with the geometries of various other polycyclic aromatic hydrocarbons containing fjord- or bay-region methyl groups provide structural data on the ratio of angular to torsional distortion in such overcrowded molecules.

Journal Article.  0 words. 

Subjects: Clinical Cytogenetics and Molecular Genetics

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