Information card for entry 2230695

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-2-(5-fluoro-1<i>H</i>-indol-3-yl)-2-oxoacetamide
• Formula: C16 H17 F N2 O2
• Calculated formula: C16 H17 F N2 O2
• SMILES: Fc1ccc2[nH]cc(c2c1)C(=O)C(=O)NC1CCCCC1
• Title of publication: <i>N</i>-Cyclohexyl-2-(5-fluoro-1<i>H</i>-indol-3-yl)-2-oxoacetamide
• Authors of publication: Tian, Dan-Li; Luo, Gang; Chen, Hong; Tang, Xiao-Wei; Liu, Yong-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1851
• a: 11.5065 ± 0.0015 Å
• b: 9.7666 ± 0.0012 Å
• c: 12.3139 ± 0.0016 Å
• α: 90°
• β: 96.639 ± 0.005°
• γ: 90°
• Cell volume: 1374.5 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes