6,6'-Dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dimethanol

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Hydrogen bonding plays a significant role in stabilizing molecular structures and influencing intermolecular interactions.

Purpose of the Study:

• To determine the precise crystal structure of the title compound (C20H26O4).
• To investigate the nature and geometry of hydrogen bonding within the crystal lattice.
• To quantify the spatial arrangement, specifically the dihedral angle, between the ring planes.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to elucidate the crystal structure.
• The crystal system and space group were identified as centrosymmetric P21/c.
• Hydrogen bond distances (OD...OA) and the intramolecular dihedral angle were precisely measured.

Main Results:

• The compound crystallized in the centrosymmetric space group P21/c.
• Two hydroxyl-H atoms were found to be ordered and participated in hydrogen bonding.
• Hydrogen bond distances were measured at 2.807 (2) Å and 2.805 (2) Å, with one bond being intramolecular.
• The intramolecular dihedral angle between ring planes (twist angle) was determined to be 87.3 (1)°.

Conclusions:

• The crystal structure of C20H26O4 has been successfully determined.
• The presence of ordered hydroxyl groups and specific hydrogen bonding patterns influences the molecule's conformation.
• The significant twist angle indicates a non-planar arrangement of the ring systems within the molecule.