Information card for entry 2013427

Structure parameters

• Formula: C12 H9 N5 O4
• Calculated formula: C12 H9 N5 O4
• SMILES: O=N(=O)c1ccc(NN=Nc2ccc(N(=O)=O)cc2)cc1
• Title of publication: 1,3-Bis(4-nitrophenyl)triazene
• Authors of publication: Hörner, Manfredo; Bresolin, Leandro.; Bordinhao, Jairo; Hartmann, Edmund.; Strähle, Joachim.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o426 - o427
• a: 13.452 ± 0.001 Å
• b: 13.671 ± 0.002 Å
• c: 7.034 ± 0.002 Å
• α: 90°
• β: 93.442 ± 0.011°
• γ: 90°
• Cell volume: 1291.2 ± 0.4 ų
• Cell temperature: 293 ± 2 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 significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes