Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate

The title salt, C(3)H(10)N(+)·C(14)H(8)F(3)O(2) (−), constitutes the first organic crystal containing a residue of 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dione. The terminal –CF(3) group is disordered over two locations [occupancy ratio = 0.830 (7):0.170 (7)]. Bond delocalization involving th...

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Autores principales: Fernandes, José A., Bruno, Sofia M., Gonçalves, Isabel S., Almeida Paz, Filipe A.
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/PMC3239027/
https://www.ncbi.nlm.nih.gov/pubmed/22199875
http://dx.doi.org/10.1107/S1600536811048318
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author Fernandes, José A.
Bruno, Sofia M.
Gonçalves, Isabel S.
Almeida Paz, Filipe A.
author_facet Fernandes, José A.
Bruno, Sofia M.
Gonçalves, Isabel S.
Almeida Paz, Filipe A.
author_sort Fernandes, José A.
collection PubMed
description The title salt, C(3)H(10)N(+)·C(14)H(8)F(3)O(2) (−), constitutes the first organic crystal containing a residue of 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dione. The terminal –CF(3) group is disordered over two locations [occupancy ratio = 0.830 (7):0.170 (7)]. Bond delocalization involving the two carbonyl groups and the α-carbon was observed. The crystal packing is mediated by several supra­molecular inter­actions, namely charged-assisted N—H⋯O hydrogen bonds, C—H⋯F and C—F⋯F short contacts and C—H⋯π inter­actions.
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spelling pubmed-32390272011-12-23 Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate Fernandes, José A. Bruno, Sofia M. Gonçalves, Isabel S. Almeida Paz, Filipe A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title salt, C(3)H(10)N(+)·C(14)H(8)F(3)O(2) (−), constitutes the first organic crystal containing a residue of 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dione. The terminal –CF(3) group is disordered over two locations [occupancy ratio = 0.830 (7):0.170 (7)]. Bond delocalization involving the two carbonyl groups and the α-carbon was observed. The crystal packing is mediated by several supra­molecular inter­actions, namely charged-assisted N—H⋯O hydrogen bonds, C—H⋯F and C—F⋯F short contacts and C—H⋯π inter­actions. International Union of Crystallography 2011-11-19 /pmc/articles/PMC3239027/ /pubmed/22199875 http://dx.doi.org/10.1107/S1600536811048318 Text en © Fernandes 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
Fernandes, José A.
Bruno, Sofia M.
Gonçalves, Isabel S.
Almeida Paz, Filipe A.
Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
title Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
title_full Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
title_fullStr Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
title_full_unstemmed Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
title_short Propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
title_sort propyl­ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239027/
https://www.ncbi.nlm.nih.gov/pubmed/22199875
http://dx.doi.org/10.1107/S1600536811048318
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