Information card for entry 2216588

Structure parameters

• Chemical name: N-(2,4-Dichlorophenyl)-2-nitrobenzamide
• Formula: C13 H8 Cl2 N2 O3
• Calculated formula: C13 H8 Cl2 N2 O3
• SMILES: Clc1c(NC(=O)c2c(N(=O)=O)cccc2)ccc(Cl)c1
• Title of publication: <i>N</i>-(2,4-Dichlorophenyl)-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: o4843 - o4843
• a: 11.4761 ± 0.0008 Å
• b: 8.8577 ± 0.0003 Å
• c: 13.8105 ± 0.0008 Å
• α: 90°
• β: 106.893 ± 0.005°
• γ: 90°
• Cell volume: 1343.28 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes