Information card for entry 2009832

Structure parameters

• Chemical name: 2-Nitrobiphenyl
• Formula: C12 H9 N O2
• Calculated formula: C12 H9 N O2
• SMILES: c1(ccccc1c1ccccc1)N(=O)=O
• Title of publication: 2-Nitrobiphenyl and 2,2'-dinitrobiphenyl
• Authors of publication: Sekine, Akiko; Ohashi, Yuji; Yoshimura, Kimihiko; Yagi, Mikio; Higuchi, Jiro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1101 - 1104
• a: 17.462 ± 0.001 Å
• b: 7.5531 ± 0.0004 Å
• c: 7.8964 ± 0.0005 Å
• α: 90°
• β: 98.937 ± 0.005°
• γ: 90°
• Cell volume: 1028.83 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.1071
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No