Artículo
Synthesis and characterization of a series of isoniazid hydrazones. Spectroscopic and theoretical study
Ferraresi Curotto, Verónica
; Echeverría, Gustavo Alberto
; Piro, Oscar Enrique
; Pis Diez, Reinaldo
; Gonzalez Baro, Ana Cecilia
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Fecha de publicación:
04/2017
Editorial:
Elsevier Science
Revista:
Journal of Molecular Structure
ISSN:
0022-2860
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
A family of hydrazones of isoniazid and a group of hydroxybenzalaldehydes (vanillin, 5-bromovanillin, 5-chlorosalicylaldehyde and 5-bromosalicylaldehyde) were obtained and fully characterized. The results, including theoretical data, are comparatively analyzed along with the already reported hydrazone of o-vanillin. The crystal structures of three compounds were determined. The hydrazones obtained from halogenated aldehydes are isomorphic and chiral to each other. Structures are further stabilized by (pyr)NH+⋯Cl− and OwH⋯Cl− bonds. The vanillin hydrazone shows a conformer that differs from the previously reported. Neighboring molecules are linked to each other through OH⋯N(pyr) bonds, giving rise to a nearly planar polymeric structure. The conformational space was searched and geometries were optimized both in the gas phase and including solvent effects by DFT. Results are extended to describe the 5-bromovanillin hydrazone. FTIR, NMR and electronic spectra were measured and assigned with the help of computational calculations.
Palabras clave:
Crystal Structures
,
Dft Calculations
,
Isoniazid
,
Schiff Bases
,
Spectroscopy
Archivos asociados
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Articulos(CEQUINOR)
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Articulos(IFLP)
Articulos de INST.DE FISICA LA PLATA
Articulos de INST.DE FISICA LA PLATA
Citación
Ferraresi Curotto, Verónica; Echeverría, Gustavo Alberto; Piro, Oscar Enrique; Pis Diez, Reinaldo; Gonzalez Baro, Ana Cecilia; Synthesis and characterization of a series of isoniazid hydrazones. Spectroscopic and theoretical study; Elsevier Science; Journal of Molecular Structure; 1133; 4-2017; 436-447
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