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Synthesis, DFT computations and antimicrobial activity of a Schiff base derived from 2-hydroxynaphthaldehyde: Remarkable solvent effect
(Elsevier, 2020)
A new Schiff base bearing sulfonamide group was synthesized and characterized by spectroscopic techniques. Its spectroscopic properties were investigated through density functional theory (DFT/B3LYP) method with the ...
Direct and solvent-assisted thione-thiol tautomerism in 5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione: Experimental and molecular modeling study
(Elsevier, 2014)
The compound has been synthesized and characterized by IR, NMR and X-ray diffraction. Quantum chemical calculations at B3LYP/6-311++G(d,p) level were performed to study the molecular and spectroscopic properties, conformational ...
Concomitant polymorphism of a pyridine-2,6-dicarboxamide derivative in a single space group: Experimental and molecular modeling study
(Pergamon-Elsevier Science Ltd, 2012)
The title compound, N-2,N-6-bis{2-[(Z)-2-hydroxybenzylideneamino]phenyl}pyridine-2,6-dicarboxamide (3), has been synthesized by the reaction of 2-{(2-aminophenylimino)methyl}phenol (1) with pyridine2,6-dicarbonyl dichloride ...
