Information card for entry 2216827

Structure parameters

• Chemical name: 2-(5,7-Dichloroquinolin-8-yloxy)-<i>N</i>,<i>N</i>-diphenylacetamide
• Formula: C23 H16 Cl2 N2 O2
• Calculated formula: C23 H16 Cl2 N2 O2
• SMILES: Clc1c(OCC(=O)N(c2ccccc2)c2ccccc2)c2c(c(Cl)c1)cccn2
• Title of publication: 2-(5,7-Dichloroquinolin-8-yloxy)-<i>N</i>,<i>N</i>-diphenylacetamide
• Authors of publication: Jun Wan; Yan An; Xiao-Fang Tang; Yong-Hong Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4598 - o4598
• a: 9.8942 ± 0.0013 Å
• b: 9.6703 ± 0.0013 Å
• c: 21.152 ± 0.003 Å
• α: 90°
• β: 93.107 ± 0.002°
• γ: 90°
• Cell volume: 2020.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes