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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....
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3297861 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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