Information card for entry 2202882

Structure parameters

• Chemical name: N-[6-(2,2-Dimethylpropionylamino)pyridin-2-yl]-2,2-dimethylpropionamide
• Formula: C15 H23 N3 O2
• Calculated formula: C15 H23 N3 O2
• SMILES: O=C(Nc1nc(NC(=O)C(C)(C)C)ccc1)C(C)(C)C
• Title of publication: <i>N</i>-[6-(2,2-Dimethylpropionylamino)pyridin-2-yl]-2,2-dimethylpropionamide
• Authors of publication: Jonathan D Crane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1854 - o1855
• a: 11.4234 ± 0.0013 Å
• b: 15.1383 ± 0.0019 Å
• c: 9.3774 ± 0.001 Å
• α: 90°
• β: 104.885 ± 0.009°
• γ: 90°
• Cell volume: 1567.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes