Information card for entry 2207369

Structure parameters

• Chemical name: N-(4-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: O(c1cccc2cccnc12)CC(=O)Nc1ccc(OC)cc1.O
• Title of publication: <i>N</i>-(4-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate
• Authors of publication: Yong-Hong Wen; Mao-Jie Li; Shu-Sheng Zhang; Xue-Mei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3630 - o3631
• a: 6.8814 ± 0.0013 Å
• b: 11.627 ± 0.002 Å
• c: 20.468 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1637.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes