Information card for entry 2212552

Structure parameters

• Chemical name: 1-(4-aminophenyl)-2-(4-nitrophenyl)ethanone
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: Nc1ccc(cc1)C(=O)Cc1ccc(N(=O)=O)cc1
• Title of publication: 1-(4-Aminophenyl)-2-(4-nitrophenyl)ethanone
• Authors of publication: Li, Zong-Sheng; Chai, Jian-She
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1082 - o1083
• a: 10.1889 ± 0.0016 Å
• b: 8.0102 ± 0.0011 Å
• c: 14.8722 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1213.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes