14901-16-7Relevant articles and documents
Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling
Abdel-Sattar, Nour E. A.,El-Naggar, Abeer M.,Abdel-Mottaleb
, (2017/08/18)
This paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT) framework. Reactivity indices obtained from the frontier orbital energies as well as electrostatic potential energy maps are discussed and correlated with the molecular structure. X-ray crystallographic data of one of the new compounds is measured and used to support and verify the theoretical results.
Cis-trans Isomerism at Square-Planar MN2S2 Centers (M = Pd, Pt): Crystal Structures of N-Phenyl-N-(2-thiazoyl)thiourea Complexes trans-Pd(S2N3C10H8)2 and cis-Pt(S2N3C10H8)2 and Density Functional Calculations
Al-Jibori, Subhi A.,Dayaaf, Noor A.,Mohammed, Modher Y.,Merzweiler, Kurt,Wagner, Christoph,Hogarth, Graeme,Richmond, Michael G.
, p. 365 - 372 (2013/08/23)
Simple palladium(II) and platinum(II) complexes, ML2 (1-2), of N-phenyl-(2-thiazoyl)thiourea have been prepared and fully characterized. The structure of Pd(S2N3C10H8) 2 (1) is monoclinic P21 /c, a = 12.510(2), b = 5.6963(6), c = 15.322(2) A, b = 90.07(2)o and Pt(S2N 3C10H8)2 (2) is orthorhombic P2 1 2 1 2 1, a = 7.3021(5), b = 11.8025(9), c = 25.628(2) A. In both complexes the ligands bind in a chelate fashion through the nitrogen atom of the thiazole ring and the sulfur atom of the thiourea to give six-membered chelate rings. In 1 the metal ion sits on an inversion center and the two ligands adopt a relative trans-disposition of like atoms, while in 2 all atoms are unique and the ligands are in a relative cis-disposition. DFT calculations on the cis and trans isomers based on 1 and 2 reveal that each pair of isomers is isoenergetic in the gas phase. Graphical Abstract: Simple palladium(II) and platinum(II) complexes, M(S2N 3C10H8)2, of N-Phenyl-(2-thiazoyl) thiourea have been prepared and fully characterized. In both complexes the ligands bind in a chelate fashion through the nitrogen atom of the thiazole ring and the sulfur atom of the thiourea to give six-membered chelate rings. In the palladium complex the metal ion sits on an inversion center and the two ligands adopt a relative trans-disposition of like atoms, while for platinum all atoms are unique and the ligands are in a relative cis-disposition. DFT calculations on the cis and trans isomers based on 1 and 2 reveal that each pair of isomers is isoenergetic in the gas phase. [Figure not available: see fulltext.]
Spectrophotometric Determination of Nickel(II) and Palladium(II) by Preliminary Adsorption of their 1-Phenyl-3-(2-thiazolyl)thiourea Complex on Polyurethane Foam
Singhal, Sumeet,Chandak, Priti,Mathur
, p. 695 - 696 (2007/10/03)
A new spectrophotometric method for the determination of nickel(II) and palladium(II) after adsorption of their 1-phenyl-3-(2-thiazolyl)thiourea complex on polyurethane foam is discussed. The method has been applied to the determination of nickel(II) in hydrogenated oil and palladium(II) in synthetic samples.
