Information card for entry 2009096

Structure parameters

• Chemical name: 4-Hydroxypiperidinium iodide
• Formula: C5 H12 I N O
• Calculated formula: C5 H12 I N O
• SMILES: [I-].[NH2+]1CCC(O)CC1
• Title of publication: Hydrogen bonding in two piperidinium derivatives
• Authors of publication: Freytag, Matthias; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1874 - 1877
• a: 7.7939 ± 0.0008 Å
• b: 12.3957 ± 0.0014 Å
• c: 7.978 ± 0.001 Å
• α: 90°
• β: 97.48 ± 0.01°
• γ: 90°
• Cell volume: 764.2 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes