Anilinium 3,4-dihy-droxy-benzoate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Materials Science

Background:

• Anilinium salts and benzoate derivatives are important in various chemical applications.
• Understanding crystal structures provides insights into molecular interactions and material properties.

Purpose of the Study:

• To determine the crystal structure of the anilinium 3,4-dihydroxy-benzoate salt.
• To analyze the intermolecular interactions governing the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was used to elucidate the crystal structure.
• Analysis of hydrogen bonding (O-H⋯O, N-H⋯O) and weak C-H⋯O interactions was performed.

Main Results:

• The asymmetric unit contains two anilinium cations and two 3,4-dihydroxy-benzoate anions.
• Intramolecular hydrogen bonds were observed within each anion.
• A three-dimensional network was formed through intermolecular O-H⋯O and N-H⋯O hydrogen bonds.
• Weak C-H⋯O interactions further stabilize the crystal structure.

Conclusions:

• The crystal structure of anilinium 3,4-dihydroxy-benzoate is characterized by extensive hydrogen bonding.
• These interactions lead to the formation of a robust three-dimensional supramolecular architecture.
• The findings contribute to the understanding of salt formation and crystal engineering involving anilinium and benzoate derivatives.