Information card for entry 7219503

Structure parameters

• Formula: C11 H22 N2 O2
• Calculated formula: C11 H22 N2 O2
• SMILES: OC1CCN(CC1)CN1CCC(O)CC1
• 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: 11.5417 ± 0.0012 Å
• b: 5.0515 ± 0.0005 Å
• c: 21.0649 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1228.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No