Information card for entry 2219934

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-2-fluorobenzamide
• Formula: C13 H16 F N O
• Calculated formula: C13 H16 F N O
• SMILES: O=C(c1c(F)cccc1)NC1CCCCC1
• Title of publication: <i>N</i>-Cyclohexyl-2-fluorobenzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Simpson, Jim; Stanley, Roderick G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2187
• a: 5.1804 ± 0.0006 Å
• b: 6.5309 ± 0.0008 Å
• c: 16.6522 ± 0.0019 Å
• α: 90°
• β: 91.336 ± 0.006°
• γ: 90°
• Cell volume: 563.24 ± 0.11 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes