Information card for entry 2220543

Structure parameters

• Chemical name: 4-Chloro-3-nitrobenzamide
• Formula: C7 H5 Cl N2 O3
• Calculated formula: C7 H5 Cl N2 O3
• SMILES: Clc1ccc(cc1N(=O)=O)C(=O)N
• Title of publication: 4-Chloro-3-nitrobenzamide
• Authors of publication: Liu, Bo-Nian; Tang, Shi-Gui; Li, Hao-Yuan; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o80
• a: 8.849 ± 0.0018 Å
• b: 7.547 ± 0.0015 Å
• c: 12.374 ± 0.003 Å
• α: 90°
• β: 101.18 ± 0.03°
• γ: 90°
• Cell volume: 810.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes