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.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4139587 | PMC |
| http://dx.doi.org/10.1007/s00894-014-2366-6 | DOI Listing |
Publication Analysis
Top Keywords
vibrational spectra
8
solid state
8
conformational space
4
space vibrational
4
spectra 2-[24-dimethoxyphenylamino]-13-thiazolidin-4-one
4
2-[24-dimethoxyphenylamino]-13-thiazolidin-4-one work
4
work study
4
study x-ray
4
x-ray structure
4
structure 2-[24-dimethoxyphenylamino]-13-thiazolidin-4-one
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!