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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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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
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author Fun, Hoong-Kun
Chantrapromma, Suchada
Dayananda, A. S.
Yathirajan, H. S.
Thomas, Saji
author_facet Fun, Hoong-Kun
Chantrapromma, Suchada
Dayananda, A. S.
Yathirajan, H. S.
Thomas, Saji
author_sort Fun, Hoong-Kun
collection PubMed
description 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.
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spelling pubmed-32978612012-03-12 4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate Fun, Hoong-Kun Chantrapromma, Suchada Dayananda, A. S. Yathirajan, H. S. Thomas, Saji Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297861/ /pubmed/22412664 http://dx.doi.org/10.1107/S1600536812005806 Text en © Fun et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Fun, Hoong-Kun
Chantrapromma, Suchada
Dayananda, A. S.
Yathirajan, H. S.
Thomas, Saji
4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate
title 4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate
title_full 4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate
title_fullStr 4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate
title_full_unstemmed 4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate
title_short 4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate
title_sort 4-[3,5-bis(2-hy­droxy­phen­yl)-1h-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297861/
https://www.ncbi.nlm.nih.gov/pubmed/22412664
http://dx.doi.org/10.1107/S1600536812005806
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