Information card for entry 2219814

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-3-fluorobenzamide
• Formula: C13 H16 F N O
• Calculated formula: C13 H16 F N O
• SMILES: Fc1cccc(c1)C(=O)NC1CCCCC1
• Title of publication: <i>N</i>-Cyclohexyl-3-fluorobenzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Flörke, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2209
• a: 5.267 ± 0.003 Å
• b: 6.599 ± 0.004 Å
• c: 16.755 ± 0.009 Å
• α: 90°
• β: 90.09 ± 0.017°
• γ: 90°
• Cell volume: 582.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes