Information card for entry 2209582

Structure parameters

• Chemical name: N-(2-Chlorophenyl)-2-(quinolin-8-yloxy)acetamide
• Formula: C17 H14 Cl N2 O2
• Calculated formula: C17 H14 Cl N2 O2
• SMILES: Clc1c(NC(=O)COc2c3[nH+]cccc3ccc2)cccc1
• Title of publication: <i>N</i>-(2-Chlorophenyl)-2-(quinolin-8-yloxy)acetamide
• Authors of publication: Shu-Sheng Zhang; Li-Li Xu; Hui-Ling Wen; Xue-Mei Li; Yong-Hong Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3071 - o3072
• a: 20.245 ± 0.004 Å
• b: 4.0211 ± 0.0007 Å
• c: 20.245 ± 0.004 Å
• α: 90°
• β: 117.38°
• γ: 90°
• Cell volume: 1463.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes