Information card for entry 2206570

Structure parameters

• Chemical name: N-Phenyl-2-(quinolin-8-yloxy)acetamide hemihydrate
• Formula: C17 H15 N2 O2.5
• Calculated formula: C17 H15 N2 O2.5
• SMILES: O.O(c1cccc2cccnc12)CC(=O)Nc1ccccc1
• Title of publication: <i>N</i>-Phenyl-2-(quinolin-8-yloxy)acetamide hemihydrate
• Authors of publication: Xue-Mei Li; Yong-Hong Wen; Mao-Jie Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2389 - o2390
• a: 11.093 ± 0.005 Å
• b: 12.944 ± 0.006 Å
• c: 19.584 ± 0.009 Å
• α: 90°
• β: 91.855 ± 0.009°
• γ: 90°
• Cell volume: 2811 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes