Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 1 (January 2007)


organic compounds



bm3017 scheme

Acta Cryst. (2007). C63, o17-o20    [ doi:10.1107/S0108270106049468 ]

Hydrogen bonding in two solid phases of phenazine-chloranilic acid (1/1) determined at 170 and 93 K

K. Gotoh, T. Asaji and H. Ishida

Abstract: The crystal structures in two solid phases, i.e. phase II stable between 146 and 253 K and phase IV below 136 K, of the title compound [phenazine-chloranilic acid (1/1), C12H8N2·C6H2Cl2O4, in phase II, and phenazinium hydrogen chloranilate, C12H9N2+·C6HCl2O4-, in phase IV], have been determined. Both phases crystallize in P21, and each structure was refined as an inversion twin. In phase II, the phenazine and chloranilic acid molecules are arranged alternately through two kinds of O-H...N hydrogen bonds. In phase IV, salt formation occurs by donation of one H atom from the chloranilic acid molecule to the phenazine molecule; the resulting monocation and monoanion are linked by N-H...O and O-H...N hydrogen bonds.

Formula: C12H8N2·C6H2Cl2O4 and C12H9N2+·C6HCl2O4-


hkldisplay filedownload file

Structure factor file (CIF format) (443.0 kbytes)
[ doi:10.1107/S0108270106049468/bm3017IIsup2.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (436.4 kbytes)
[ doi:10.1107/S0108270106049468/bm3017IVsup3.hkl ]
Contains datablock IV


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