title: A 1:1 cocrystal of fluconazole with salicylic acid.
abstract: The interaction of the antifungal pharmaceutical agent fluconazole with salicylic acid in acetonitrile solution yields the 1:1 cocrystal 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol-2-hydroxybenzoic acid (1/1), C(13)H(12)F(2)N(6)O·C(7)H(6)O(3). The asymmetric unit consists of one molecule of fluconazole and one molecule of salicylic acid, both in their neutral forms. Both crystal agents form head-to-tail hydrogen-bonded dimers, which are further connected into hydrogen-bonded extended zigzag tapes propagating along the ac diagonal.
authors: Krka d.d., Šmarjeska cesta 6, 8501 Novo mesto, Slovenia.
authors: Jože
authors: J
authors: Kastelic
authors: Nina
authors: N
authors: Lah
authors: Danijel
authors: D
authors: Kikelj
authors: Ivan
authors: I
authors: Leban
mesh_terms: D001565:Benzoates / Q000737:chemistry*; D018360:Crystallography, X-Ray; D019281:Dimerization; D015725:Fluconazole / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D020156:Salicylic Acid / Q000737:chemistry*; D014230:Triazoles / Q000737:chemistry*
chemical_list: C562181:2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol-2-hydroxybenzoic acid; D001565:Benzoates; D014230:Triazoles; D015725:Fluconazole; D020156:Salicylic Acid