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Chloranilic acid: a redetermination at 100 K

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 structu...

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Detalles Bibliográficos
Autores principales: Dutkiewicz, Grzegorz, Yathirajan, H. S., Al-arique, Q. N. M. Hakim, Narayana, B., Kubicki, Maciej
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979702/
https://www.ncbi.nlm.nih.gov/pubmed/21579900
http://dx.doi.org/10.1107/S1600536810003387
Descripción
Sumario: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 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)°].