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Fluconazole–malonic acid (1/1)

Co-crystallizaton of the anti­fungal drug fluconazole [2-(2,4-difluoro­phen­yl)-1,3-bis­(1H-1,2,4-triazol-1-yl)propan-2-ol] with malonic acid in acetonitrile solution resulted in the formation of the title 1:1 co-crystal, C(13)H(12)F(2)N(6)O·C(3)H(4)O(4). The geometry around the central fluconazole...

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Detalles Bibliográficos
Autores principales: Kastelic, Jože, Kikelj, Danijel, Leban, Ivan, Lah, Nina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588488/
https://www.ncbi.nlm.nih.gov/pubmed/23476565
http://dx.doi.org/10.1107/S1600536813003656
Descripción
Sumario:Co-crystallizaton of the anti­fungal drug fluconazole [2-(2,4-difluoro­phen­yl)-1,3-bis­(1H-1,2,4-triazol-1-yl)propan-2-ol] with malonic acid in acetonitrile solution resulted in the formation of the title 1:1 co-crystal, C(13)H(12)F(2)N(6)O·C(3)H(4)O(4). The geometry around the central fluconazole atom is distorted tetrahedral. The dihedral angles between the triazole rings and the fluorinated phenyl ring are 30.64 (7) and 61.91 (5)°. In the crystal, the basic packing motif may be envisioned as a cyclic aggregate formed of two fluconazole mol­ecules linked by two malonic acid mol­ecules through O—H⋯N and O—H⋯O hydrogen bonds. Such aggregates are further connected into (001) layers by further O—H⋯N hydrogen bonds. The structure also features weak non-classical C—H⋯O and C—H⋯N inter­actions.