Trimesic acid dimethyl sulfoxide solvate: space group revision

Area of Science:

• Crystallography
• Materials Science
• Supramolecular Chemistry

Background:

• The crystal structure of the trimesic acid-DMSO solvate was previously determined in 1978.
• The original determination utilized room temperature data and refined the structure in space group P2(1).

Purpose of the Study:

• To re-determine the crystal structure of the trimesic acid-DMSO solvate using high-resolution diffraction data.
• To clarify the accurate space group and structural details of the solvate.

Main Methods:

• High-resolution X-ray diffraction data collection.
• Crystal structure refinement and analysis.

Main Results:

• The redetermination indicates that the space group is more likely P2(1)/m.
• The crystal structure features layered arrangements of trimesic acid molecules on mirror planes.
• A 2D supramolecular network is formed within layers via O-H⋯O hydrogen bonds between trimesic acid molecules and DMSO solvent molecules.

Conclusions:

• The revised crystal structure provides a more accurate description of the trimesic acid-DMSO solvate.
• The findings highlight the importance of high-resolution data in accurately determining crystal structures and space groups.
• The study elucidates the hydrogen bonding network and supramolecular organization in the solvate.