Information card for entry 2238907

Structure parameters

• Chemical name: <i>N</i>-(2-Oxoazepan-3-yl)cyclohexanecarboxamide
• Formula: C13 H22 N2 O2
• Calculated formula: C13 H22 N2 O2
• SMILES: N(C(=O)C1CCCCC1)C1C(=O)NCCCC1
• Title of publication: <i>N</i>-(2-Oxo-2,3,4,5,6,7-hexahydro-1<i>H</i>-azepin-3-yl)cyclohexanecarboxamide
• Authors of publication: Chunjuan, Shi; Zhao, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1837
• a: 5.007 ± 0.001 Å
• b: 11.642 ± 0.002 Å
• c: 12.739 ± 0.003 Å
• α: 63.66 ± 0.03°
• β: 82.69 ± 0.03°
• γ: 82.75 ± 0.03°
• Cell volume: 658 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No