Information card for entry 2237112

Structure parameters

• Chemical name: 3-Hydroxy-1-(4-methoxybenzyl)piperidin-2-one
• Formula: C13 H17 N O3
• Calculated formula: C13 H17 N O3
• SMILES: C1(=O)C(CCCN1Cc1ccc(cc1)OC)O
• Title of publication: 3-Hydroxy-1-(4-methoxybenzyl)piperidin-2-one
• Authors of publication: Pienaar, Daniel P.; Khorasani, Sanaz; de Koning, Charles B.; Michael, Joseph P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o51
• a: 12.98 ± 0.003 Å
• b: 7.6143 ± 0.0017 Å
• c: 12.189 ± 0.003 Å
• α: 90°
• β: 90.497 ± 0.005°
• γ: 90°
• Cell volume: 1204.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes