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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...

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Detalles Bibliográficos
Autores principales: Kitamura, Chitoshi, Kawase, Takeshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
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.
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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
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