Information card for entry 2227923

Structure parameters

• Chemical name: 4-(4-Fluoroanilino)-<i>N</i>-(4-fluorophenyl)-3-nitrobenzamide
• Formula: C19 H13 F2 N3 O3
• Calculated formula: C19 H13 F2 N3 O3
• SMILES: Fc1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2N(=O)=O)cc1
• Title of publication: 4-(4-Fluoroanilino)-<i>N</i>-(4-fluorophenyl)-3-nitrobenzamide
• Authors of publication: Wang, Yong; Fan, Kaiqing; Li, Chenghong; Ge, Changhua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2909
• a: 7.851 ± 0.0016 Å
• b: 8.272 ± 0.0017 Å
• c: 13.835 ± 0.003 Å
• α: 74.75 ± 0.03°
• β: 85.67 ± 0.03°
• γ: 70.76 ± 0.03°
• Cell volume: 818.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes