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4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate

In the mol­ecule of deferasirox dimethyl­formamide solvate, C(21)H(15)N(3)O(4)·C(3)H(7)NO, the central 1,2,4-triazole ring is tilted with respect to the benzoic acid and one of the 2-hy­droxy­phenyl units but coplanar with the other 2-hy­droxy­phenyl group, as indicated by the dihedral angles of 33....

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Chantrapromma, Suchada, Dayananda, A. S., Yathirajan, H. S., Thomas, Saji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297861/
https://www.ncbi.nlm.nih.gov/pubmed/22412664
http://dx.doi.org/10.1107/S1600536812005806
Descripción
Sumario:In the mol­ecule of deferasirox dimethyl­formamide solvate, C(21)H(15)N(3)O(4)·C(3)H(7)NO, the central 1,2,4-triazole ring is tilted with respect to the benzoic acid and one of the 2-hy­droxy­phenyl units but coplanar with the other 2-hy­droxy­phenyl group, as indicated by the dihedral angles of 33.69 (9), 72.57 (8) and 5.18 (9)°, respectively. Intra­molecular O—H⋯N hydrogen bonds generate an S(6) ring motif. In the crystal, deferasirox mol­ecules are linked by O—H⋯N hydrogen bonds and weak C—H⋯O inter­actions into chains along the c axis. The dimethyl­formamide solvent mol­ecules are located between the deferasirox chains and are linked to the deferasirox mol­ecules by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions.