Information card for entry 2242089

Structure parameters

• Chemical name: 4,4'-Dinitro-[1,1'-biphenyl]-2-amine
• Formula: C12 H9 N3 O4
• Calculated formula: C12 H9 N3 O4
• SMILES: O=N(=O)c1cc(N)c(c2ccc(N(=O)=O)cc2)cc1
• Title of publication: Crystal structure of 4,4'-dinitro-[1,1'-biphenyl]-2-amine
• Authors of publication: Faizi, Md. Serajul Haque; Haque, Ashanul; Dege, Necmi; Hasan, Syed Imran; Dege, Mustafa; Kalibabchuk, Valentina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 550 - 552
• a: 14.294 ± 0.0011 Å
• b: 7.0352 ± 0.0006 Å
• c: 11.6043 ± 0.0009 Å
• α: 90°
• β: 99.437 ± 0.006°
• γ: 90°
• Cell volume: 1151.15 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes