Information card for entry 7219501

Structure parameters

• Formula: C5 H11 N O
• Calculated formula: C5 H11 N O
• SMILES: OC1CCNCC1
• 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: 21.3459 ± 0.0007 Å
• b: 18.6413 ± 0.0006 Å
• c: 5.93539 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361.78 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No