Information card for entry 2216339

Structure parameters

• Chemical name: N-(3-Chlorophenyl)-2-nitrobenzamide
• Formula: C13 H9 Cl N2 O3
• Calculated formula: C13 H9 Cl N2 O3
• SMILES: Clc1cc(NC(=O)c2c(N(=O)=O)cccc2)ccc1
• Title of publication: <i>N</i>-(3-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: o4666 - o4666
• a: 13.0699 ± 0.0015 Å
• b: 11.3731 ± 0.0012 Å
• c: 8.2215 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes