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Combined DFT calculation, Hirshfeld surface analysis, and Energy framework study of non-covalent interactions in the crystal structure of (Z)-5-ethylidene-2-thiohydantoin determined by powder X-ray diffraction
ArticleAbstract: The thiohydantoin core is used in the synthesis and development of new drugs. Furthermore, the studyPalabras claves:Energy framework, Hirshfeld surface analysis, hydrogen bond patterns, NCI calculations, Powder X-ray diffraction, ThiohydantoinAutores:Brito I., Cárdenas A., Cisterna J., Delgado G.E., Luis E. Seijas, Luis Rincon, Marroquin G., Mora A.J.Fuentes:scopusCrystal structure of 2-thiohydantoin-L-isoleucine synthesized under solvent-free conditions
ArticleAbstract: The title compound with systematic name: (S)-5-secbutyl-2-thiohydantoin, is synthesized through a soPalabras claves:Crystal structure, Hydrogen bonds, ThiohydantoinAutores:Almeida R., Delgado G.E., Gonzalez T., Luis E. Seijas, Mora A.J.Fuentes:scopusN-acetyl-5-isopropyl-2-tioxoimidazolidin-4-one: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and energy framework study
ArticleAbstract: Studies based on the role of non-covalent interactions in supramolecular structure of materials withPalabras claves:DFT calculations, Energy framework, Hirshfeld surface analysis, Hydrogen bonding patterns, Thiohydantoin, X-ray crystal structureAutores:Almeida R., Azotla-Cruz L., Brito I., Cárdenas A., Chacón C., Cisterna J., Delgado G.E., Luis E. Seijas, Mora A.J.Fuentes:scopusSolvent-free synthesis and crystal structure of rac-2-thiohydantoin-valine
ArticleAbstract: Thiohydantoins have been used in the manufacture of medicines and in industrial processes. DependingPalabras claves:Crystal structure, Hydrogen bonds, Solvent-free synthesis, Supramolecular chemistry, ThiohydantoinAutores:Delgado G.E., Gonzalez T., Luis E. Seijas, Mora A.J., Rivas P., Santos I.Fuentes:scopusSynthesis, crystal and supramolecular structure of rac-N-acetyl-2-thiohydantoin-asparagine
ArticleAbstract: The title compound, C7H9N3O3S, also known as rac-N-acetyl-5-propionamide-2-thioxo-imidazolidin-4-onePalabras claves:Crystal structure, Hydrogen bonds, Supramolecular chemistry, ThiohydantoinAutores:Araque R., Delgado G.E., Luis E. Seijas, Mora A.J., Rodríguez J., Varela K.Fuentes:scopus