Information card for entry 2012161

Structure parameters

• Chemical name: 2-Nitrodiphenylamine
• Formula: C12 H10 N2 O2
• Calculated formula: C12 H10 N2 O2
• SMILES: c1(Nc2ccccc2)c(N(=O)=O)cccc1
• Title of publication: Hydrogen-bonded chains in <i>N</i>-(2-nitrophenyl)phenylamine
• Authors of publication: McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 946 - 948
• a: 14.7077 ± 0.0005 Å
• b: 10.1602 ± 0.0004 Å
• c: 6.7878 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1014.32 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes