Information card for entry 2222099

Structure parameters

• Common name: 3-chloro-<i>N</i>-cyclohexylbenzamide
• Chemical name: 3-Chloro-<i>N</i>-cyclohexylbenzamide
• Formula: C13 H16 Cl N O
• Calculated formula: C13 H16 Cl N O
• SMILES: Clc1cc(C(=O)NC2CCCCC2)ccc1
• Title of publication: 3-Chloro-<i>N</i>-cyclohexylbenzamide
• Authors of publication: Khawar Rauf, M.; Bolte, Michael; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1265
• a: 8.4963 ± 0.0006 Å
• b: 11.4891 ± 0.0007 Å
• c: 12.5318 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1223.29 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes