An X-ray crystallographic study of 1,2,3,4-tetraphenyltriphenylene shows that the polycyclic nucleus of this molecule is substantially twisted due to severe nonbonded interactions between the triphenylene hydrogen atoms and the proximal carbons of the 1- and 4-phenyl groups. The two independent molecules in the crystallographic unit cell exhibit twists of 28.1° and 30.9°, slightly less than the 33° twist predicted by MM2(85). 1,2,3,4-Tetraphenyl[5,6,7,8,9,10,ll,12-2H8]triphenylene was prepared to determine if the twist angle would be altered by deuterium substitution, and it was found that the X-ray structuresof the deuteriated and protic molecules did not differ significantly.
ASJC Scopus subject areas
- Organic Chemistry