Chloranilic acid: a redetermination at 100 K

Dutkiewicz, Grzegorz and Yathirajan, H. S. and Al-arique, Q. N. M. Hakim and Narayana, B. and Kubicki, Maciej (2010) Chloranilic acid: a redetermination at 100 K. Acta Crystallographica Section E, 66 (2). o497-o498. ISSN 2056-9890

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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)°].

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 25 Oct 2019 05:21
Last Modified: 25 Oct 2019 05:21

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