Information card for entry 2239767

Structure parameters

• Chemical name: Bis(2-nitrophenyl)methane
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: O=N(=O)c1ccccc1Cc1ccccc1N(=O)=O
• Title of publication: Bis(2-nitrophenyl)methane
• Authors of publication: Janzen, Daron E.; Crepeau, Laura E.; Hageseth, Benjamin D.; Wollack, James W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o859
• a: 7.628 ± 0.003 Å
• b: 8.34 ± 0.003 Å
• c: 9.464 ± 0.004 Å
• α: 103.544 ± 0.008°
• β: 92.555 ± 0.007°
• γ: 94.87 ± 0.007°
• Cell volume: 581.9 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes