Acta Crystallographica Section E

Volume 68, Part 3 (March 2012)

organic compounds

ez2281 scheme

Acta Cryst. (2012). E68, o792-o793 [ doi:10.1107/S1600536812005806 ]

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

H.-K. Fun, S. Chantrapromma, A. S. Dayananda, H. S. Yathirajan and S. Thomas

Abstract: In the molecule of deferasirox dimethylformamide solvate, C₂₁H₁₅N₃O₄·C₃H₇NO, 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-HN hydrogen bonds generate an S(6) ring motif. In the crystal, deferasirox molecules are linked by O-HN hydrogen bonds and weak C-HO 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-HO hydrogen bonds and weak C-HO interactions.


	Hyper-Text Markup Language (HTML) file (87.8 kbytes) [ doi:10.1107/S1600536812005806/ez2281sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (8.5 kbytes) [ doi:10.1107/S1600536812005806/ez2281Isup3.cml ] Supplementary material

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search