Information card for entry 2214533

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(3-nitrophenyl)acetamide
• Formula: C8 H7 Cl N2 O3
• Calculated formula: C8 H7 Cl N2 O3
• SMILES: C(C(=O)Nc1cc(ccc1)N(=O)=O)Cl
• Title of publication: 2-Chloro-<i>N</i>-(3-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: 8
• Pages of publication: o3364 - o3364
• a: 4.999 ± 0.002 Å
• b: 4.999 ± 0.002 Å
• c: 35.876 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 896.5 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes