Information card for entry 7219504

Structure parameters

• Formula: C11 H22 N2 O4
• Calculated formula: C11 H22 N2 O4
• SMILES: [NH2+]1CCC(CC1)O.N1(CCC(CC1)O)C(=O)[O-]
• Title of publication: Two polymorphs of 4-hydroxypiperidine with different NH configurations
• Authors of publication: Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 5206
• a: 10.4947 ± 0.001 Å
• b: 11.9 ± 0.0011 Å
• c: 16.836 ± 0.002 Å
• α: 76.943 ± 0.01°
• β: 81.326 ± 0.01°
• γ: 68.873 ± 0.009°
• Cell volume: 1905 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No