Information card for entry 2219801

Structure parameters

• Common name: Iodoquinolinium Chloride Dihydrate
• Chemical name: 8-Iodoquinolinium chloride dihydrate
• Formula: C9 H11 Cl I N O2
• Calculated formula: C9 H11 Cl I N O2
• SMILES: c1ccc2cccc(c2[nH+]1)I.[Cl-].O.O
• Title of publication: 8-Iodoquinolinium chloride dihydrate
• Authors of publication: Son, Jung-Ho; Hoefelmeyer, James D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2076
• a: 8.96 ± 0.0018 Å
• b: 17.58 ± 0.004 Å
• c: 7.17 ± 0.0014 Å
• α: 90°
• β: 97.13 ± 0.03°
• γ: 90°
• Cell volume: 1120.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes