Information card for entry 7228919

Structure parameters

• Common name: N-(2-aminophenyl)-2-nitrobenzamide
• Formula: C13 H11 N3 O3
• Calculated formula: C13 H11 N3 O3
• SMILES: O=N(=O)c1ccccc1C(=O)Nc1ccccc1N
• Title of publication: Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers
• Authors of publication: Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 7.4377 ± 0.0004 Å
• b: 7.7862 ± 0.0004 Å
• c: 11.4106 ± 0.0008 Å
• α: 75.345 ± 0.006°
• β: 77.944 ± 0.006°
• γ: 65.998 ± 0.006°
• Cell volume: 579.81 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No