Crystal structure of 2,4-di-tert-butyl-6-(hy-droxy-methyl)-phenol.

ABSTRACT: The title compound, C15H24O2, is an example of a phenol-based pendant-arm precursor. In the mol-ecule, the phenol hy-droxy group participates in an intra-molecular O-H?O hydrogen bond with the pendant alcohol group, forming an S(6) ring. This ring adopts a half-chair conformation. In the crystal, O-H?O hydrogen bonds connect mol-ecules related by the 31 screw axes, forming chains along the c axis. The C-C-O angles for the hy-droxy groups are different as a result of the type of hybridization for the C atoms that are involved in these angles. The C-C-O angle for the phenol hy-droxy group is 119.21?(13)°, while the angle within the pendant alcohol is 111.99?(13)°. The bond length involving the phenolic oxygen is 1.3820?(19)?Å, which contrasts with that of the alcoholic oxygen which is 1.447?(2)?Å. The former is conjugated with the aromatic ring and so leads to the observed shorter bond length.

SUBMITTER: Aranburu Leiva AI 

PROVIDER: S-EPMC5095846 | biostudies-other | 2016 Nov

REPOSITORIES: biostudies-other