Acta Crystallographica, Section C: Crystal Structure Communications 2000-08-01

2,4-Bis(alpha,alpha-dimethylbenzyl)phenol

Bryan

Index: Acta Crystallogr. C 56 (Pt 8) , 1046-7, (2000)

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Abstract

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.