Bis(2-hy-droxy-phen-yl)methanone

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Benzophenone derivatives are important organic compounds with diverse applications.
• Understanding the crystal structure of these molecules is crucial for predicting their properties and designing new materials.

Purpose of the Study:

• To elucidate the detailed crystal structure of a specific benzophenone derivative (C13H10O3).
• To analyze the molecular geometry, including the orientation of phenyl rings and the formation of hydrogen bonds.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of the crystal structure involved identifying least-squares planes, substituent orientations, and hydrogen bonding interactions.

Main Results:

• The two 2-hydroxy-phenyl rings intersect at an angle of 45.49(3)°.
• Substituents on the aromatic systems are oriented towards the central oxygen atom.
• Both intramolecular and intermolecular O-H⋯O hydrogen bonds were observed, leading to the formation of centrosymmetric dimers.

Conclusions:

• The crystal structure of the studied benzophenone derivative is characterized by significant non-planarity between the phenyl rings.
• Hydrogen bonding plays a key role in the self-assembly of these molecules in the solid state, forming dimers.
• The findings provide fundamental insights into the structure-property relationships of benzophenone derivatives.