title: Conformational space and vibrational spectra of 2-[(2,4-dimethoxyphenyl)amino]-1,3-thiazolidin-4-one.
abstract: In this work we present the results of a study of the X-ray structure of 2-[(2,4-dimethoxyphenyl)amino]-1,3-thiazolidin-4-one. Using the FTIR spectra in solid state and results of ab initio calculations we explain the issue of the tautomerism of this molecule. The compound is shown to exist as the 2-amino tautomer rather 2-imino tautomer. Here we consider eight possible tautomers. On the basis of the vibrational spectra we can eliminate five possible tautomers, as not existing in the solid state. As the most possible tautomeric form we have found keto 2-amino form.
authors.affiliation: Department of Organic Chemistry, Faculty of Pharmacy, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University, Dr. A. Jurasza 2, 85-094, Bydgoszcz, Poland, alicja@cm.umk.pl.
authors.forename: Alicja
authors.initials: A
authors.lastname: Nowaczyk
authors.forename: Marcin
authors.initials: M
authors.lastname: Kowiel
authors.forename: Andrzej
authors.initials: A
authors.lastname: Gzella
authors.forename: Lukasz
authors.initials: L
authors.lastname: Fijałkowski
authors.forename: Volodymyr
authors.initials: V
authors.lastname: Horishny
authors.forename: Roman
authors.initials: R
authors.lastname: Lesyk
mesh_terms: D018360:Crystallography, X-Ray; D019281:Dimerization; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D017550:Spectroscopy, Fourier Transform Infrared; D055672:Static Electricity; D013237:Stereoisomerism; D013816:Thermodynamics; D053778:Thiazolidines / Q000737:chemistry*; D014732:Vibration
chemical_list: C000602230:2-((2,4-dimethoxyphenyl)amino)-1,3-thiazolidin-4-one; D053778:Thiazolidines