2-(Biphenyl-4-yl)acetic acid (felbinac)

Area of Science:

• Crystallography and Molecular Structure Analysis
• Organic Chemistry

Background:

• Understanding the intermolecular forces and spatial arrangement of organic molecules is crucial in chemistry.
• Carboxylic acid groups are known to form hydrogen bonds, influencing crystal packing and molecular conformation.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(12)O(2).
• To investigate the presence and nature of intermolecular hydrogen bonding.
• To quantify the dihedral angle between the aromatic rings within the molecule.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Crystallographic data was analyzed to identify hydrogen bonding interactions.
• Geometric parameters, including dihedral angles, were precisely calculated.

Main Results:

• The crystal structure of C(14)H(12)O(2) was successfully determined.
• Intermolecular hydrogen bonding between carboxylic acid groups was observed, leading to the formation of dimers.
• The dihedral angle between the two aromatic rings was found to be 27.01(7)°.

Conclusions:

• The study confirms the expected dimerization of carboxylic acid groups through hydrogen bonding in the solid state.
• The determined dihedral angle provides specific conformational information about the molecule.