The crystal structure of chloranilic acid, C(6)H(2)Cl(2)O(4), was first described by Andersen in 1967 [Andersen, E. K. (1967). Acta Cryst. 22, 188-191] at room temperature using visually estimated intensities. Taking into account the importance of the title compound, we have redetermined the structure at 100â (1)â K. The approximately planar mol-ecule [the maximum deviation from the mean plane through the ring is 0.0014â (9)â à for the ring atoms and 0.029â (3)â à for the other atoms] occupies a special position, lying across the center of symmetry. In the crystal structure, a two-dimensional hydrogen-bonded network sustained by O-Hâ¯O inter-actions runs approximately parallel to [101]. The two-dimensional layers are further packed in a parallel fashion, stabilized by Clâ¯Cl inter-actions [Clâ¯Cl = 3.2838â (8)â à , C-Clâ¯Cl = 152.96â (6)°].
Chloranilic acid: a redetermination at 100â K.
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作者:Dutkiewicz Grzegorz, Yathirajan H S, Al-Arique Q N M Hakim, Narayana B, Kubicki Maciej
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2010 | 起止号: | 2010 Jan 30; 66(Pt 2):o497-8 |
| doi: | 10.1107/S1600536810003387 | ||
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