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Anthracene-1,4,9,10-tetraone
The asymmetric unit of the title compound, C(14)H(6)O(4), contains three independent molecules (A, B and C). In molecule C, there are two disordered sets of two carbonyl O atoms [occupancies = 0.643 (11) and 0.357 (11)]. All three molecules are non-planar due to repulsion between two O atoms in p...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884275/ https://www.ncbi.nlm.nih.gov/pubmed/24454051 http://dx.doi.org/10.1107/S1600536813026342 |
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author | Kitamura, Chitoshi Kawase, Takeshi |
author_facet | Kitamura, Chitoshi Kawase, Takeshi |
author_sort | Kitamura, Chitoshi |
collection | PubMed |
description | The asymmetric unit of the title compound, C(14)H(6)O(4), contains three independent molecules (A, B and C). In molecule C, there are two disordered sets of two carbonyl O atoms [occupancies = 0.643 (11) and 0.357 (11)]. All three molecules are non-planar due to repulsion between two O atoms in peri positions on the anthracene ring, showing a slight difference in deviation of the carbonyl O atoms. The intramolecular distances between the two nearest O atoms are in the range of 2.685 (10)–2.766 (10) Å. In the crystal, molecules are linked by C—H⋯O and π–π [centroid–centroid distances = 3.615 (2), 3.844 (2) and 3.921 (2) Å] interactions, which lead to the formation of a herringbone-like arrangement. |
format | Online Article Text |
id | pubmed-3884275 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38842752014-01-17 Anthracene-1,4,9,10-tetraone Kitamura, Chitoshi Kawase, Takeshi Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(14)H(6)O(4), contains three independent molecules (A, B and C). In molecule C, there are two disordered sets of two carbonyl O atoms [occupancies = 0.643 (11) and 0.357 (11)]. All three molecules are non-planar due to repulsion between two O atoms in peri positions on the anthracene ring, showing a slight difference in deviation of the carbonyl O atoms. The intramolecular distances between the two nearest O atoms are in the range of 2.685 (10)–2.766 (10) Å. In the crystal, molecules are linked by C—H⋯O and π–π [centroid–centroid distances = 3.615 (2), 3.844 (2) and 3.921 (2) Å] interactions, which lead to the formation of a herringbone-like arrangement. International Union of Crystallography 2013-10-02 /pmc/articles/PMC3884275/ /pubmed/24454051 http://dx.doi.org/10.1107/S1600536813026342 Text en © Kitamura and Kawase 2013 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 Kitamura, Chitoshi Kawase, Takeshi Anthracene-1,4,9,10-tetraone |
title | Anthracene-1,4,9,10-tetraone |
title_full | Anthracene-1,4,9,10-tetraone |
title_fullStr | Anthracene-1,4,9,10-tetraone |
title_full_unstemmed | Anthracene-1,4,9,10-tetraone |
title_short | Anthracene-1,4,9,10-tetraone |
title_sort | anthracene-1,4,9,10-tetraone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884275/ https://www.ncbi.nlm.nih.gov/pubmed/24454051 http://dx.doi.org/10.1107/S1600536813026342 |
work_keys_str_mv | AT kitamurachitoshi anthracene14910tetraone AT kawasetakeshi anthracene14910tetraone |