Information card for entry 2234720

Structure parameters

• Chemical name: <i>N</i>-<i>p</i>-Tolylpyrrolidine-1-carboxamide
• Formula: C12 H16 N2 O
• Calculated formula: C12 H16 N2 O
• SMILES: N(C(=O)N1CCCC1)c1ccc(cc1)C
• Title of publication: <i>N</i>-<i>p</i>-Tolylpyrrolidine-1-carboxamide
• Authors of publication: Li, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1275
• a: 10.264 ± 0.002 Å
• b: 10.803 ± 0.002 Å
• c: 10.168 ± 0.002 Å
• α: 90°
• β: 98.61 ± 0.03°
• γ: 90°
• Cell volume: 1114.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes