Information card for entry 2218004

Structure parameters

• Chemical name: N-(2-Chloro-4-nitrophenyl)-2-nitrobenzamide
• Formula: C13 H8 Cl N3 O5
• Calculated formula: C13 H8 Cl N3 O5
• SMILES: Clc1c(NC(=O)c2ccccc2N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: <i>N</i>-(2-Chloro-4-nitrophenyl)-2-nitrobenzamide
• Authors of publication: Saeed, Aamer; Hussain, Shahid; Flörke, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o705
• a: 7.8053 ± 0.0009 Å
• b: 13.8621 ± 0.0017 Å
• c: 24.101 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2607.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes