Information card for entry 2230506

Structure parameters

• Chemical name: <i>N</i>-Methyl-<i>N</i>-phenyl-2-(quinolin-8-yloxy)acetamide monohydrate
• Formula: C18 H18 N2 O3
• Calculated formula: C18 H18 N2 O3
• SMILES: O(c1c2ncccc2ccc1)CC(=O)N(c1ccccc1)C.O
• Title of publication: <i>N</i>-Methyl-<i>N</i>-phenyl-2-(quinolin-8-yloxy)acetamide monohydrate
• Authors of publication: Zhi, Li-Hua; Wu, Wei-Na; Li, Shu; Li, Yun-Long; Cai, Xiao-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1420
• a: 6.6028 ± 0.0008 Å
• b: 14.9207 ± 0.0018 Å
• c: 16.3505 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1610.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes