Information card for entry 2236808

Structure parameters

• Chemical name: <i>N</i>^1^-(4-Methylphenyl)piperidine-1,4-dicarboxamide
• Formula: C14 H19 N3 O2
• Calculated formula: C14 H19 N3 O2
• SMILES: O=C(Nc1ccc(C)cc1)N1CCC(CC1)C(=O)N
• Title of publication: <i>N</i>^1^-(4-Methylphenyl)piperidine-1,4-dicarboxamide
• Authors of publication: Islor, Arun M.; Jagadeesh, M. R.; Suresh Kumar, H. M.; Ananda Kumari, R.; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3452
• a: 5.0102 ± 0.0001 Å
• b: 28.6642 ± 0.0007 Å
• c: 10.1131 ± 0.0002 Å
• α: 90°
• β: 103.113 ± 0.001°
• γ: 90°
• Cell volume: 1414.51 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes