Information card for entry 2217483

Structure parameters

• Chemical name: 2,2-Dichloro-<i>N</i>-(3-nitrophenyl)acetamide
• Formula: C8 H6 Cl2 N2 O3
• Calculated formula: C8 H6 Cl2 N2 O3
• SMILES: c1(cc(ccc1)N(=O)=O)NC(=O)C(Cl)Cl
• Title of publication: 2,2-Dichloro-<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: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o382 - o382
• a: 9.6092 ± 0.0006 Å
• b: 10.6487 ± 0.0007 Å
• c: 19.868 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2033 ± 0.2 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: 0.0492
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes