Information card for entry 2230670

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-4-methylpiperidine-1-carboxamide
• Formula: C13 H17 Cl N2 O
• Calculated formula: C13 H17 Cl N2 O
• SMILES: Clc1ccc(NC(=O)N2CCC(CC2)C)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-4-methylpiperidine-1-carboxamide
• Authors of publication: Li, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1796
• a: 13.286 ± 0.003 Å
• b: 9.1468 ± 0.0018 Å
• c: 10.957 ± 0.002 Å
• α: 90°
• β: 95.36 ± 0.03°
• γ: 90°
• Cell volume: 1325.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes