Information card for entry 2226989

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-2-(8-quinolyloxy)acetamide monohydrate
• Formula: C17 H15 Cl N2 O3
• Calculated formula: C17 H15 Cl N2 O3
• SMILES: Clc1ccc(NC(=O)COc2cccc3c2nccc3)cc1.O
• Title of publication: <i>N</i>-(4-Chlorophenyl)-2-(8-quinolyloxy)acetamide monohydrate
• Authors of publication: Wang, Yuan; Li, Yan-Wei; Li, Xiao-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1977
• a: 19.4984 ± 0.0019 Å
• b: 5.2601 ± 0.0006 Å
• c: 29.851 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3061.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes