Information card for entry 2210386

Structure parameters

• Chemical name: N-(4-Ethoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate
• Formula: C19 H20 N2 O4
• Calculated formula: C19 H20 N2 O4
• SMILES: N(c1ccc(OCC)cc1)C(=O)COc1c2ncccc2ccc1.O
• Title of publication: <i>N</i>-(4-Ethoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate
• Authors of publication: Yong-Hong Wen; Li-Li Xu; Sai Bi; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3932 - o3933
• a: 14.603 ± 0.002 Å
• b: 5.0837 ± 0.0007 Å
• c: 24.349 ± 0.003 Å
• α: 90°
• β: 107.143 ± 0.003°
• γ: 90°
• Cell volume: 1727.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1241
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes