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Crystal structure ofp-toluidinium bifluoride

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Abstract

p-toluidinium bifluoride crystallizes in the orthorhombic space groupPbca, witha = 7·161,b = 18·405,c = 11·824 Å andZ= 8. The structure was solved by direct methods from X-ray counter data measured with CuKα. radiation, and a finalR index of 0·052 was obtained for the 642 observed terms of the 1480 possible. Thep-toluidine molecule is fully protonated and the methyl group is either disordered, librating extensively or freely rotating. In the HF2 − ion the H atom is apparently centrally situated between the two fluorine atoms, and is obviously very delocalized; the F-H-F distance is 2·276 ± 0·005 Å. The structure consists of alternate layers ofp-toluidinium and hydrogenbifluoride ions with the latter hydrogen-bonded to the amine groupings.

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References

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Authors and Affiliations

  1. Division of Chemical Physics, C.S.I.R.O. Chemical Research Laboratories, P.O. Box 160, 3168, Clayton, Victoria, Australia

    W. A. Denne & M. F. Mackay

  2. Chemistry Department, La Trobe University, 3083, Bundoora, Victoria, Australia

    M. F. Mackay

Authors
  1. W. A. Denne
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  2. M. F. Mackay
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Denne, W.A., Mackay, M.F. Crystal structure ofp-toluidinium bifluoride. Journal of Crystal and Molecular Structure 1, 311–318 (1971). https://doi.org/10.1007/BF01200805

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  • DOI: https://doi.org/10.1007/BF01200805

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