Sainz-Diaz, C. Ignacio et al. published their research in Journal of Computer-Aided Molecular Design in 2022 |CAS: 144-80-9

The Article related to sulfonamide solid state crystal polymorphism spectroscopy, dft calculations, sulfonamides, hydrogen bonds, infrared spectroscopy, polymorphism, Placeholder for records without volume info and other aspects.Quality Control of N-((4-Aminophenyl)sulfonyl)acetamide

On July 31, 2022, Sainz-Diaz, C. Ignacio; de la Luz, Alexander Perez; Barrientos-Salcedo, Carolina; Francisco-Marquez, Misaela; Soriano-Correa, Catalina published an article.Quality Control of N-((4-Aminophenyl)sulfonyl)acetamide The title of the article was Crystal polymorphism and spectroscopical properties of sulfonamides in solid state by means of First Principles calculations. And the article contained the following:

Sulfonamides are an important class of therapeutic agents. The increase in the number of new sulfonamide derivatives makes it necessary to study more rationally the chem. structure, because the solid forms often display different mech., thermal and physicochem. properties that can influence the bioavailability and stability of the drugs; consequently, the polymorphic structures are of great interest to the pharmaceutical industry because of their ability to modify the phys. properties of the active pharmaceutical ingredient. The mol. interactions of these drugs in their crystal lattice are important for the stability of the crystals and polymorphism and for preparing composite complexes for optimizing the use of these drugs. In this work, the crystal structure of these drugs and crystal polymorphism is investigated. So, the crystal forms of antibiotics derivatives of the sulfonamides, sulfamethoxazole, sulfamethazine, sulfachloropyridazine, and sulfacetamide are studied at the mol. and supramol. level by using computational modeling approach at quantum mech. level. The spectroscopic properties of these systems are also studied explaining assignments of previous exptl. data. The results of DFT calculations reproduce the crystal structures of sulfonamides determined exptl. and the polymorphism in these mols. have been clarified. Likewise, the main intermol. interactions in all crystal forms of these sulfonamides are H-bonds among the sulfonic and amino groups and SNH groups, and also some π-π interactions. Also, these 3-D periodical models allow the exploration of the intermol. interactions included in the crystal structures and some of these interactions can alter the vibration modes of the mols. Therefore, the use of these models can be useful for exptl. spectroscopy studies where use actual crystal solids. The experimental process involved the reaction of N-((4-Aminophenyl)sulfonyl)acetamide(cas: 144-80-9).Quality Control of N-((4-Aminophenyl)sulfonyl)acetamide

The Article related to sulfonamide solid state crystal polymorphism spectroscopy, dft calculations, sulfonamides, hydrogen bonds, infrared spectroscopy, polymorphism, Placeholder for records without volume info and other aspects.Quality Control of N-((4-Aminophenyl)sulfonyl)acetamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics