Information card for entry 2213166

Structure parameters

• Common name: N-(4-methylphenyl)-2-chloroacetamide
• Chemical name: 2-Chloro-N-(4-methylphenyl)acetamide
• Formula: C9 H10 Cl N O
• Calculated formula: C9 H10 Cl N O
• SMILES: C(C(=O)Nc1ccc(cc1)C)Cl
• Title of publication: 2-Chloro-<i>N</i>-(4-methylphenyl)acetamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2333 - o2334
• a: 10.585 ± 0.002 Å
• b: 9.262 ± 0.004 Å
• c: 18.848 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847.8 ± 1.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1167
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.2879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes