Information card for entry 2219918

Structure parameters

• Chemical name: (2,4-Dinitrophenyl)(1-methyl-1-nitroethyl)diazene
• Formula: C9 H9 N5 O6
• Calculated formula: C9 H9 N5 O6
• SMILES: O=N(=O)c1c(N=NC(N(=O)=O)(C)C)ccc(N(=O)=O)c1
• Title of publication: (2,4-Dinitrophenyl)(1-methyl-1-nitroethyl)diazene
• Authors of publication: Yuan, Chunlan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2198
• a: 13.495 ± 0.004 Å
• b: 12.847 ± 0.004 Å
• c: 14.362 ± 0.003 Å
• α: 90°
• β: 92.18 ± 0.03°
• γ: 90°
• Cell volume: 2488.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No