Information card for entry 2209834

Structure parameters

• Chemical name: N-(3-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: O.O(c1c2ncccc2ccc1)CC(=O)Nc1cc(OC)ccc1
• Title of publication: <i>N</i>-(3-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate
• Authors of publication: Yong-Hong Wen; Hui-Ling Wen; Xue-Mei Li; Li-Li Xu; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3414 - o3415
• a: 8.1881 ± 0.0011 Å
• b: 7.0491 ± 0.001 Å
• c: 14.094 ± 0.002 Å
• α: 90°
• β: 100.553 ± 0.002°
• γ: 90°
• Cell volume: 799.73 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes