Information card for entry 2209887

Structure parameters

• Chemical name: N-(4-Ethoxyphenyl)-2-chloroacetamide
• Formula: C10 H12 Cl N O2
• Calculated formula: C10 H12 Cl N O2
• SMILES: ClCC(=O)Nc1ccc(OCC)cc1
• Title of publication: 2-Chloro-<i>N</i>-(4-ethoxyphenyl)acetamide
• Authors of publication: Shu-Sheng Zhang; Hui-Ling Wen; Xue-Mei Li; Li-Li Xu; Yong-Hong Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3412 - o3413
• a: 11.3149 ± 0.0013 Å
• b: 10.012 ± 0.0012 Å
• c: 9.1966 ± 0.0011 Å
• α: 90°
• β: 97.155 ± 0.002°
• γ: 90°
• Cell volume: 1033.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes