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Crystal and molecular structure of N-methyl-8-fluoroquinolinium chloride, C10H9NFCl·H2O

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Abstract

The crystal structure ofN-methyl-8-fluoroquinolinium chloride was determined by single crystal X-ray diffraction with refinement by full-matrix least-squares techniques. The crystals belong to theP21/n space group with unit cell parametersa=6.938(3),b=7.855(4),c=18.592(14) Å, and β=94.72(4)°. The calculated and observed densities are 1.415(6) and 1.421 g cm−3, respectively. Isotropie refinement of hydrogens and anisotropic refinement of all other atoms with 1040 unique reflections havingI>3σ(I) converged withR 1=0.055 andR 2=0.060. Steric interactions between the fluorine and the methyl group are evident from the structural data, but the planarity of the quinolinium ring is not significantly distorted.

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Authors and Affiliations

  1. Department of Chemistry, University of Arizona, 85721, Tucson, Arizona

    S. R. Walter & M. Barfield

  2. Department of Chemistry, Dartmouth College, 03755, Hanover, New Hampshire

    G. W. Gribble & K. W. Haden

Authors
  1. S. R. Walter
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  2. M. Barfield
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  3. G. W. Gribble
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  4. K. W. Haden
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Walter, S.R., Barfield, M., Gribble, G.W. et al. Crystal and molecular structure of N-methyl-8-fluoroquinolinium chloride, C10H9NFCl·H2O. Journal of Crystallographic and Spectroscopic Research 12, 473–480 (1982). https://doi.org/10.1007/BF01160900

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  • DOI: https://doi.org/10.1007/BF01160900

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