Please use this identifier to cite or link to this item: https://repository.usc.edu.co/handle/20.500.12421/484
Title: Novel Isoniazid cocrystals with aromatic carboxylic acids: Crystal engineering, spectroscopy and thermochemical investigations
Authors: Diniz, Luan F.
Souza, Matheus S.
Carvalho Jr., Paulo S.
P. da Silva, Cecilia C.
D'Vries, Richard F.
Ellena, Javier
Keywords: Tuberculosis;Isoniazid;Cocrystals;Crystal engineering;X-ray diffraction
Issue Date: 2017
Publisher: Journal of Molecular Structure
Abstract: Four novel cocrystals of the anti-tuberculosis drug Isoniazid (INH), including two polymorphs, with the aromatic carboxylic acids p-nitrobenzoic (PNBA), p-cyanobenzoic (PCNBA) and p-aminobenzoic (PABA) were rationally designed and synthesized by solvent evaporation. Aiming to explore the possible supramolecular synthons of this API, these cocrystals were fully characterized by X-ray diffraction (SCXRD, PXRD), spectroscopic (FT-IR) and thermal (TGA, DSC, HSM) techniques. The cocrystal formation was found to be mainly driven by the synthons formed by the pyridine and hydrazide moieties. In both INH−PABA polymorphs, the COOH acid groups are H-bonded to pyridine and hydrazide groups giving rise to the acid⋯pyridine and acid⋯hydrazide heterosynthons. In INH−PNBA and INH−PCNBA cocrystals these acid groups are only related to the pyridine moiety. In addition to the structural study, supramolecular and Hirshfeld surface analysis were also performed based on the structural data. The cocrystals were identified from the FT-IR spectra and their thermal behaviors were studied by a combination of DSC, TGA and HSM techniques.
URI: https://repository.usc.edu.co/handle/20.500.12421/484
ISSN: 0022-2860
Appears in Collections:Producción Científica



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