Crystal and molecular structure of an OH ⋯π hydrogen-bonded system : 2,2-bis-(2-hydroxy-5-methyl-3-t-butylphenyl)propane

Abstract

The crystal structure of the title compound (I) has been determined by three-dimensional X-ray analysis. Crystals are orthorhombic, a= 14.089, b= 18.190, c= 8.896 Å, Z= 4, space group P2₁2₁2₁. The structure was solved by direct methods employing 1 646 significant diffractometer data, and refined by least-squares methods to a final R of 0.038. The structure possesses two independent intramolecular OH π hydrogen bonds, mean 2.09 Å, for the perpendicular distance between the hydroxy-hydrogen atom and its corresponding π-electron-dono rring.