Structural investigation of a new antimicrobial thiazolidine compound

Journal Article · Wed Nov 13 00:00:00 EST 2013 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4833691· OSTI ID:22257197

Cozar, I. B.; Pîrnău, A. ^[1]; Vedeanu, N.; Nastasă, C. ^[2]

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1. National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Street, RO-400293 Cluj-Napoca (Romania)
2. Iuliu Hatieganu University of Medicine and Pharmacy, Faculty of Pharmacy, RO-400023 Cluj-Napoca (Romania)

Thiazoles and their derivatives have attracted the interest over the last decades because of their varied biological activities: antibacterial, antiviral, antifungal, inflammation or in the treatment of allergies. A new synthesized compound 3-[2-(4-Methyl-2-phenyl-thiazol-5-yl)-2-oxo-ethyl]-thazolidine-2,4-dione was investigated by FT-IR, FT-Raman, {sup 1}H, {sup 13}C NMR spectroscopies and also by DFT calculations at B3LYP/6-31G(d) level of theory. The very good correlation found between the experimental and theoretical data shows that the optimized molecular structure is very close to reality. Also the NMR spectra show a monomeric behaviour of this compound in solutions.

• OSTI ID: 22257197
• Journal Information: AIP Conference Proceedings, Vol. 1565, Issue 1; Conference: PIM 2013: International conference on processes in isotopes and molecules, Cluj Napoca (Romania), 25-27 Sep 2013; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
FOURIER TRANSFORMATION
INFRARED SPECTRA
MOLECULAR STRUCTURE
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
SPECTROSCOPY
THEORETICAL DATA
THIAZOLES