2,4-Bis(alpha,alpha-dimethylbenzyl)phenol
The structure of the title compound, 2, 4-bis(1-methyl-1-phenylethyl)phenol, C(24)H(26)O, was found to have a torsion angle of 129.95 (13) degrees for the C-C bond that connects the benzyl carbon to the phenol ring ortho to the OH group. A value of approximately 50 degrees was expected from molecular mechanics calculations. Intermolecular interactions, in particular O-H.O and edge-face pi bonding, may contribute to this discrepancy. Intramolecular O-H.pi bonding is also observed.
Bryan
JC
Chemical and Analytical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6119, USA. bryanjc@ornl.gov.