Information card for entry 2220459

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-4-(2-oxocyclopentyl)butyramide
• Formula: C15 H18 Cl N O2
• Calculated formula: C15 H18 Cl N O2
• SMILES: Clc1ccc(NC(=O)CCCC2C(=O)CCC2)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-4-(2-oxocyclopentyl)butyramide
• Authors of publication: Yu, Lin-Tao; Wei, Jiang-Tao; Zhou, Xiang-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o162
• a: 5.5897 ± 0.0002 Å
• b: 8.8847 ± 0.0003 Å
• c: 14.648 ± 0.0004 Å
• α: 80.906 ± 0.002°
• β: 86.436 ± 0.002°
• γ: 85.351 ± 0.002°
• Cell volume: 715.05 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes