Information card for entry 2226623

Structure parameters

• Chemical name: <i>N</i>-cyclohexylnicotinamide
• Formula: C12 H16 N2 O
• Calculated formula: C12 H16 N2 O
• SMILES: O=C(NC1CCCCC1)c1cccnc1
• Title of publication: <i>N</i>-Cyclohexylnicotinamide
• Authors of publication: Li, Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1759
• a: 17.596 ± 0.002 Å
• b: 6.405 ± 0.0008 Å
• c: 10.1167 ± 0.0012 Å
• α: 90°
• β: 103.921 ± 0.002°
• γ: 90°
• Cell volume: 1106.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes