Information card for entry 2018529

Structure parameters

• Common name: <i>rac-N</i>-(3-fluorophenyl)-<i>cis</i>-2-carboxy-1-cyclohexanamide
• Chemical name: <i>rac</i>-<i>cis</i>-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
• Formula: C14 H16 F N O3
• Calculated formula: C14 H16 F N O3
• Title of publication: Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o253 - o256
• a: 11.3688 ± 0.0008 Å
• b: 8.7802 ± 0.0006 Å
• c: 12.7989 ± 0.001 Å
• α: 90°
• β: 93.436 ± 0.007°
• γ: 90°
• Cell volume: 1275.29 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes