2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone

There are two mol­ecules in the asymmetric unit of the title compound, C(14)H(6)F(6)O(2), in which the azulene systems possess an almost planar geometry with maximum deviations of 0.0438 (15) and 0.0396 (14) Å. Besides intra- and inter­molecular C—H⋯O and C—H⋯F inter­actions, the structure displays...

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Detalles Bibliográficos
Autores principales: Förster, Sebastian, Eissmann, Frank, Seichter, Wilhelm, Weber, Edwin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120490/
https://www.ncbi.nlm.nih.gov/pubmed/21754800
http://dx.doi.org/10.1107/S1600536811017569
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author Förster, Sebastian
Eissmann, Frank
Seichter, Wilhelm
Weber, Edwin
author_facet Förster, Sebastian
Eissmann, Frank
Seichter, Wilhelm
Weber, Edwin
author_sort Förster, Sebastian
collection PubMed
description There are two mol­ecules in the asymmetric unit of the title compound, C(14)H(6)F(6)O(2), in which the azulene systems possess an almost planar geometry with maximum deviations of 0.0438 (15) and 0.0396 (14) Å. Besides intra- and inter­molecular C—H⋯O and C—H⋯F inter­actions, the structure displays three F⋯F contacts [2.793 (2), 2.8820 (17) and 2.9181 (16) Å]. Furthermore, a characteristic azulene π-stacking is observed with an alternating sequence of electron-rich five-membered rings and electron-deficient seven-membered rings [centroid–centroid distances = 3.5413 (12), 3.6847 (12), 3.5790 (12) and 3.7718 (12) Å].
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spelling pubmed-31204902011-07-13 2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone Förster, Sebastian Eissmann, Frank Seichter, Wilhelm Weber, Edwin Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two mol­ecules in the asymmetric unit of the title compound, C(14)H(6)F(6)O(2), in which the azulene systems possess an almost planar geometry with maximum deviations of 0.0438 (15) and 0.0396 (14) Å. Besides intra- and inter­molecular C—H⋯O and C—H⋯F inter­actions, the structure displays three F⋯F contacts [2.793 (2), 2.8820 (17) and 2.9181 (16) Å]. Furthermore, a characteristic azulene π-stacking is observed with an alternating sequence of electron-rich five-membered rings and electron-deficient seven-membered rings [centroid–centroid distances = 3.5413 (12), 3.6847 (12), 3.5790 (12) and 3.7718 (12) Å]. International Union of Crystallography 2011-05-14 /pmc/articles/PMC3120490/ /pubmed/21754800 http://dx.doi.org/10.1107/S1600536811017569 Text en © Förster et al. 2011 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
Förster, Sebastian
Eissmann, Frank
Seichter, Wilhelm
Weber, Edwin
2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone
title 2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone
title_full 2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone
title_fullStr 2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone
title_full_unstemmed 2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone
title_short 2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone
title_sort 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro­acet­yl)azulen-1-yl]ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120490/
https://www.ncbi.nlm.nih.gov/pubmed/21754800
http://dx.doi.org/10.1107/S1600536811017569
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