C. Foces-Foces, C. Cativiela, M. M. Zurbano
Aug 1, 1996
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0
Influential Citations
9
Citations
Journal
Journal of Chemical Crystallography
Abstract
The crystal and molecular structure of the title compound has been determined by X-ray analysis. 4-(3,5-Dimethylpyrazol-l-yl)benzoic acid trifluoroacetate crystallizes in the 12/a space group witha=20.6584(13),b=9.9068(3),c=14.9467(6) Å, β=106.195(4),V=2937.6(2) Å3, Dc=1.494 g/cm3 andZ=8. The ions pack in chains parallel to thea axis through O−H⋯O and N−H⋯O hydrogen bond interactions. Solid-state13C CPMASNMR spectroscopy has been used to compare the structure of the trifluoracetate with that of the neutral molecule [4-(3,5-dimethylpyrazol-l-yl)benzoic acid].