2-Hy-droxy-ethyl-ammonium [2-(2,6-di-chloro-anilino)phen-yl]acetate monohydrate

Area of Science:

• Crystallography
• Solid-state chemistry
• Supramolecular chemistry

Background:

• Diclofenac is a widely used nonsteroidal anti-inflammatory drug (NSAID).
• Understanding the solid-state structure of drug derivatives is crucial for pharmaceutical development.
• Hydrogen bonding plays a significant role in crystal packing and material properties.

Purpose of the Study:

• To elucidate the crystal structure of a diclofenac derivative.
• To characterize the hydrogen bonding interactions within the crystal lattice.
• To provide insights into the supramolecular assembly of the compound.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the solid-state structure.
• Analysis of the crystal structure involved identifying the asymmetric unit contents.
• Hydrogen bond network analysis was performed.

Main Results:

• The asymmetric unit was found to contain one cation (C2H8NO+), one anion (C14H10Cl2NO2-), and one water molecule (H2O).
• All components were located in general crystallographic positions.
• A complex and extensive network of intermolecular hydrogen bonds was identified.

Conclusions:

• The crystal structure of the diclofenac derivative was successfully determined.
• The intricate hydrogen bonding network dictates the supramolecular architecture.
• This structural information is valuable for understanding the physical properties and potential applications of the compound.