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

Authors
Bryan, JC
Citation
Jc. Bryan, 2,4-Bis(alpha,alpha-dimethylbenzyl)phenol, ACT CRYST C, 56, 2000, pp. 1046-1047
Citations number
11
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
56
Year of publication
2000
Part
8
Pages
1046 - 1047
Database
ISI
SICI code
0108-2701(200008)56:<1046:2>2.0.ZU;2-#
Abstract
The structure of the title compound, 2,4-bis(1-methyl-1-phenylethyl)phenol, C24H26O, 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 similar to 50 degrees was expected from molecular mechani cs 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.