Co-crystallizaton of the anti-fungal drug fluconazole [2-(2,4-difluoro-phen-yl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol] with malonic acid in acetonitrile solution resulted in the formation of the title 1:1 co-crystal, C13H12F2N6O·C3H4O4. The geometry around the central fluconazole atom is distorted tetrahedral. The dihedral angles between the triazole rings and the fluorinated phenyl ring are 30.64â (7) and 61.91â (5)°. In the crystal, the basic packing motif may be envisioned as a cyclic aggregate formed of two fluconazole mol-ecules linked by two malonic acid mol-ecules through O-Hâ¯N and O-Hâ¯O hydrogen bonds. Such aggregates are further connected into (001) layers by further O-Hâ¯N hydrogen bonds. The structure also features weak non-classical C-Hâ¯O and C-Hâ¯N inter-actions.
Fluconazole-malonic acid (1/1).
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作者:Kastelic Jože, Kikelj Danijel, Leban Ivan, Lah Nina
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2013 | 起止号: | 2013 Mar 1; 69(Pt 3):o378-9 |
| doi: | 10.1107/S1600536813003656 | ||
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