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

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 =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>3(I) converged withR₁=0.055 andR₂=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.