Information card for entry 2241179

Structure parameters

• Chemical name: (4-Hydroxypiperidin-1-yl)(4-methylphenyl)methanone
• Formula: C13 H17 N O2
• Calculated formula: C13 H17 N O2
• SMILES: OC1CCN(C(=O)c2ccc(cc2)C)CC1
• Title of publication: Crystal structure of (4-hydroxypiperidin-1-yl)(4-methylphenyl)methanone
• Authors of publication: Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o817 - o818
• a: 23.933 ± 0.005 Å
• b: 6.3317 ± 0.0012 Å
• c: 8.0269 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1216.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes