Chloranilic acid: a redetermination at 100 K

The crystal structure of chloranilic acid, C6H2Cl2O4, 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 s...

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Bibliographic Details
Main Authors: Grzegorz Dutkiewicz, H. S. Yathirajan, Q. N. M. Hakim Al-arique, B. Narayana, Maciej Kubicki
Format: Article
Language:English
Published: International Union of Crystallography 2010-02-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810003387
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Summary:The crystal structure of chloranilic acid, C6H2Cl2O4, 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 100 (1) K. The approximately planar molecule [the maximum deviation from the mean plane through the ring is 0.0014 (9) Å for the ring atoms and 0.029 (3) Å 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—H...O interactions runs approximately parallel to [101]. The two-dimensional layers are further packed in a parallel fashion, stabilized by Cl...Cl interactions [Cl...Cl = 3.2838 (8) Å, C—Cl...Cl = 152.96 (6)°].
ISSN:1600-5368