Information card for entry 2213164

Structure parameters

• Chemical name: 2-Chloro-N-(4-nitrophenyl)acetamide
• Formula: C8 H7 Cl N2 O3
• Calculated formula: C8 H7 Cl N2 O3
• SMILES: ClCC(=O)Nc1ccc(N(=O)=O)cc1
• Title of publication: 2-Chloro-<i>N</i>-(4-nitrophenyl)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: o2335 - o2336
• a: 9.46 ± 0.001 Å
• b: 20.194 ± 0.003 Å
• c: 9.496 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.1 ± 0.4 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: 0.0467
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes