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Propyl-ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate.

ABSTRACT: 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 ?-carbon was observed. The crystal packing is mediated by several supra-molecular inter-actions, namely charged-assisted N-H?O hydrogen bonds, C-H?F and C-F?F short contacts and C-H?? inter-actions.

SUBMITTER: Fernandes JA

PROVIDER: S-EPMC3239027 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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Propyl-ammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate.

Fernandes José A JA Bruno Sofia M SM Gonçalves Isabel S IS Almeida Paz Filipe A FA

Acta crystallographica. Section E, Structure reports online 20111119 Pt 12

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 supra-molecular inter-actions, namely charged-assisted N-H⋯O hydrogen bonds, C-H⋯F and C-F⋯F short conta ...[more]

PMID: 22199875

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