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Molecules 2016, 21(4), 455; doi:10.3390/molecules21040455

New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity

1
Department of Bioinorganic Chemistry, Medical University of Lodz, ul. Muszynskiego 1, 90-151 Lodz, Poland
2
Department of Theoretical and Structural Chemistry, Faculty of Chemistry, University of Lodz, Pomorska 163/165, 90-236 Lodz, Poland
3
Department of Nucleic Acids Biochemistry, Medical University of Lodz, ul. Pomorska 251, 92-213 Lodz, Poland
*
Author to whom correspondence should be addressed.
Academic Editor: Derek J. McPhee
Received: 24 February 2016 / Revised: 24 March 2016 / Accepted: 28 March 2016 / Published: 13 April 2016
(This article belongs to the Section Organometallic Chemistry)
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Abstract

This work presents the synthesis, spectroscopic properties and single-crystal X-ray examination of the structure of 3-hydroxyiminoflavanone and its palladium complex. It presents the results of NMR (Nuclear Magnetic Resonance) spectroscopy, electron-density studies based on X-ray wavefunction refinement and theoretical calculations combined with QTAIM (Quantum Theory of Atoms in Molecules) and ELI-D (Electron Localizability Indicator) analyses. These offer an interesting new insight into the structures and behavior of flavanone and its complex, in solid state and in solution. The study also examines the cytotoxicity of the ligand and its complex against three human ovarian and lung cancer cell lines. View Full-Text
Keywords: palladium(II) complex; 3-hydroxyiminoflavanone; NMR spectroscopy; X-ray crystallography; X-ray wavefunction refinement; cytotoxicity palladium(II) complex; 3-hydroxyiminoflavanone; NMR spectroscopy; X-ray crystallography; X-ray wavefunction refinement; cytotoxicity
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Kasprzak, M.; Fabijańska, M.; Chęcińska, L.; Szmigiero, L.; Ochocki, J. New Look on 3-Hydroxyiminoflavanone and Its Palladium(II) Complex: Crystallographic and Spectroscopic Studies, Theoretical Calculations and Cytotoxic Activity. Molecules 2016, 21, 455.

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