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


The title salt, C3H10N+center dot C14H8F3O2-, constitutes the first organic crystal containing a residue of 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dione. The terminal -CF3 group is disordered over two locations [occupancy ratio = 0.830 (7):0.170 (7)]. Bond delocalization involving the two carbonyl groups and the alpha-carbon was observed. The crystal packing is mediated by several supramolecular interactions, namely charged-assisted N-H center dot center dot center dot O hydrogen bonds, C-H center dot center dot center dot F and C-F center dot center dot center dot F short contacts and C-H center dot center dot center dot pi interactions.



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Fernandes, JA; Bruno, SM; Goncalves, IS; Paz, FAA

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We are grateful to the Fundacao para a Ciencia e a Tecnologia (FCT/FEDER, Portugal) for their general financial support to CICECO, and for the post-doctoral research grants Nos. SFRH/BPD/63736/2009 (to JAF) and SFRH/BPD/46473/2008 (to SMB). Thanks are also due to the FCT for specific funding toward the purchase of the single-crystal diffractometer.

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