Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782191478016049152 |
---|---|
author | Dutkiewicz, Grzegorz Yathirajan, H. S. Al-arique, Q. N. M. Hakim Narayana, B. Kubicki, Maciej |
author_facet | Dutkiewicz, Grzegorz Yathirajan, H. S. Al-arique, Q. N. M. Hakim Narayana, B. Kubicki, Maciej |
author_sort | Dutkiewicz, Grzegorz |
collection | PubMed |
description | 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)°]. |
format | Text |
id | pubmed-2979702 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29797022010-12-30 Chloranilic acid: a redetermination at 100 K Dutkiewicz, Grzegorz Yathirajan, H. S. Al-arique, Q. N. M. Hakim Narayana, B. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers 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)°]. International Union of Crystallography 2010-01-30 /pmc/articles/PMC2979702/ /pubmed/21579900 http://dx.doi.org/10.1107/S1600536810003387 Text en © Dutkiewicz et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Dutkiewicz, Grzegorz Yathirajan, H. S. Al-arique, Q. N. M. Hakim Narayana, B. Kubicki, Maciej Chloranilic acid: a redetermination at 100 K |
title | Chloranilic acid: a redetermination at 100 K |
title_full | Chloranilic acid: a redetermination at 100 K |
title_fullStr | Chloranilic acid: a redetermination at 100 K |
title_full_unstemmed | Chloranilic acid: a redetermination at 100 K |
title_short | Chloranilic acid: a redetermination at 100 K |
title_sort | chloranilic acid: a redetermination at 100 k |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979702/ https://www.ncbi.nlm.nih.gov/pubmed/21579900 http://dx.doi.org/10.1107/S1600536810003387 |
work_keys_str_mv | AT dutkiewiczgrzegorz chloranilicacidaredeterminationat100k AT yathirajanhs chloranilicacidaredeterminationat100k AT alariqueqnmhakim chloranilicacidaredeterminationat100k AT narayanab chloranilicacidaredeterminationat100k AT kubickimaciej chloranilicacidaredeterminationat100k |