Information card for entry 2009833

Structure parameters

• Chemical name: 2,2'-Dinitrobiphenyl
• Formula: C12 H8 N2 O4
• Calculated formula: C12 H8 N2 O4
• SMILES: c1(N(=O)=O)ccccc1c1c(cccc1)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: 13.067 ± 0.003 Å
• b: 8.271 ± 0.002 Å
• c: 10.634 ± 0.002 Å
• α: 90°
• β: 102.73 ± 0.02°
• γ: 90°
• Cell volume: 1121 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 2.76
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No