Information card for entry 2216476

Structure parameters

• Chemical name: N-(4-Chlorophenyl)-2-nitrobenzamide
• Formula: C13 H9 Cl N2 O3
• Calculated formula: C13 H9 Cl N2 O3
• SMILES: Clc1ccc(NC(=O)c2c(N(=O)=O)cccc2)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-2-nitrobenzamide
• Authors of publication: Saeed, Aamer; Hussain, Shahid; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4615 - o4615
• a: 23.8527 ± 0.0015 Å
• b: 40.936 ± 0.003 Å
• c: 5.078 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4958.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0896
• 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