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Title: Structural investigation of a new antimicrobial thiazolidine compound

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.
Authors:
;  [1] ; ;  [2]
  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)
Publication Date:
OSTI Identifier:
22257197
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1565; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; FOURIER TRANSFORMATION; INFRARED SPECTRA; MOLECULAR STRUCTURE; NMR SPECTRA; NUCLEAR MAGNETIC RESONANCE; SPECTROSCOPY; THEORETICAL DATA; THIAZOLES