Abstract
The crystal structure of the title compound, C4H12N+.C6H3N2O5-.H2O, is built up from tetramethylammonium cations, 2,5-dinitrophenolate anions and water molecules. The nitro groups are almost coplanar with the aryl ring, which exhibits significant distortion from an ideal hexagonal form. The X-ray geometry of the tetramethylammonium cation shows slight distortion from the tetrahedral symmetry predicted by molecular orbital calculations. The O-H...O hydrogen-bonded water and 2,5-dinitrophenolate units are related by an inversion center and form dimers. The 2,5-dinitrophenolate anions, related by an inversion center and translation, are stacked to form a column along the [100] direction.
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