Acta Crystallographica Section C

Volume 66, Part 7 (July 2010)

organic compounds

 

Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds

A. Czapik and M. Gdaniec

Abstract: 2,3,5,6-Tetrafluorobenzene-1,4-diol easily forms cocrystals with heteroaromatic bases containing the pyrazine unit. In the 1:1 complexes with pyrazine, C₆H₂F₄O₂·C₄H₄N₂, (I), and quinoxaline, C₆H₂F₄O₂·C₈H₆N₂, (II), the crystal components are linked via O-HN hydrogen bonds into one-dimensional chains. With the largest base, phenazine, the 1:2 benzenediol-phenazine complex, C₆H₂F₄O₂·2C₁₂H₈N₂, (III), was obtained, with the molecules linked via O-HN interactions into a discrete heterotrimer. In all three cocrystals, the two types of molecules are organized into layers via softer C-HO and C-HF interactions and - stacking interactions, with stronger hydrogen bonds linking molecules of adjacent layers. In (II) and (III), molecules are arranged into heterostacks, whereas in (I) separate stacks are formed by the heterocyclic base and the benzenediol molecule.

Formula: C₆H₂F₄O₂·C₄H₄N₂, C₆H₂F₄O₂·C₈H₆N₂ and C₆H₂F₄O₂·2C₁₂H₈N₂

	Structure factor file (CIF format) (45.5 kbytes) [ doi:10.1107/S0108270110021736/su3047Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (65.4 kbytes) [ doi:10.1107/S0108270110021736/su3047IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (121.7 kbytes) [ doi:10.1107/S0108270110021736/su3047IIIsup4.hkl ] Contains datablock III

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