Synthesis, Spectroscopic Characterizations, Crystal Structures And Dft Studies Of Nalidixic Acid Carbonyl Hydrazones Derivatives

dc.creatorBergamini
dc.creatorFRG; Ribeiro
dc.creatorMA; Lancellotti
dc.creatorM; Machado
dc.creatorD; Miranda
dc.creatorPCML; Cuin
dc.creatorA; Formiga
dc.creatorALB; Corbi
dc.creatorPP
dc.date2016
dc.date2016-12-06T18:32:37Z
dc.date2016-12-06T18:32:37Z
dc.date.accessioned2018-03-29T02:05:13Z
dc.date.available2018-03-29T02:05:13Z
dc.identifier1872-8014
dc.identifierJournal Of Molecular Structure. ELSEVIER SCIENCE BV, n. 1120, p. 115 - 124.
dc.identifier0022-2860
dc.identifierWOS:000378453100012
dc.identifier10.1016/j.molstruc.2016.05.025
dc.identifierhttp://www-sciencedirect-com.ez88.periodicos.capes.gov.br/science/article/pii/S0022286016304719
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/320588
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1311354
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionThis article describes the synthesis and characterization of the 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide (hzd) and six carbonyl hydrazones derivatives of the nalidixic with 1H-pyrrol-2-ylmethylidene (hpyrr), 1H-imidazol-2-ylmethylidene (h2imi), pyridin-2-ylmethylidene (h2py), pyridin-3-ylmethylidene (h3py), pyridin-4-ylmethylidene(h4py) and (2-hydroxyphenyl)methylidene (hsali). The carbonyl hydrazones were characterized by elemental and ESI-QTOF-MS analyses, IR and detailed NMR spectroscopic measurements. The 2D NMR experiments allowed the unambiguous assignment of the hydrogen, carbon and nitrogen atoms, which have not been reported for nalidixic acid carbonyl hydrazone derivatives so far. Crystal structures of hzd and the new carbonyl hydrazones h2imi, hpyrr and h3py were determined by X-ray diffraction studies. Although the synthesis of hzd was reported decades ago, the hzd crystal structure have not been reported yet. Geometric optimizations of all the characterized structures were performed with the aid of DFT studies. Despite the fact that the hydrazones with 2-pyridine carboxylic acid (h2py) and salicyl aldehyde (hsali) were already reported by literature, a detailed spectroscopic study followed by DFT studies are also reported for such compounds in this manuscript. Antimicrobial studies of the compounds are also presented. (C) 2016 Elsevier B.V. All rights reserved.
dc.description1120
dc.description
dc.description115
dc.description124
dc.descriptionBrazilian Agency FAPESP [2012/08230-2]
dc.descriptionBrazilian Agency CAPES
dc.descriptionBrazilian Agency CNPq (Conselho Nacional de Desenvolvimento Cientifico e Tecnologico, Brazil) [140707/2013-1, 442123/2014-0]
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description
dc.description
dc.description
dc.languageEnglish
dc.publisherELSEVIER SCIENCE BV
dc.publisherAMSTERDAM
dc.relationJournal Of Molecular Structure
dc.rightsfechado
dc.sourceWOS
dc.subjectNalidixic Acid
dc.subjectCarbonyl Hydrazones
dc.subjectCrystal Structure
dc.subjectAntimicrobial
dc.subjectDft
dc.subjectNmr
dc.titleSynthesis, Spectroscopic Characterizations, Crystal Structures And Dft Studies Of Nalidixic Acid Carbonyl Hydrazones Derivatives
dc.typeArtículos de revistas


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