4-Methyl-2-(2-methyl-anilino)benzoic acid

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Synthesis of novel organic compounds is crucial for materials science and drug discovery.
• Understanding molecular conformation and intermolecular interactions is key to predicting material properties.

Purpose of the Study:

• To synthesize and characterize a new organic compound with the molecular formula C15H15NO2.
• To elucidate the crystal structure and identify intermolecular interactions of the synthesized compound.

Main Methods:

• Chemical synthesis involving the reaction of 2-chloro-4-methyl-benzoic acid and o-toluidine.
• Crystallization from acetone to obtain single crystals.
• X-ray diffraction analysis to determine the molecular and crystal structure.

Main Results:

• The synthesized compound, C15H15NO2, was successfully obtained and crystallized.
• X-ray crystallography revealed a twisted molecular conformation with a dihedral angle of 50.86(5)° between aromatic rings.
• Molecules form acid-acid hydrogen-bonded dimers in the crystal lattice via O-H⋯O interactions.

Conclusions:

• The study successfully synthesized and characterized a novel organic compound.
• The crystal structure provides insights into the conformational preferences and self-assembly behavior of this molecule.
• The identified hydrogen bonding patterns are important for understanding crystal packing and potential solid-state properties.