Information card for entry 8105594

Structure parameters

• Chemical name: 1,2-dimethyl-3,4-dinitrobenzene
• Formula: C8 H8 N2 O4
• Calculated formula: C8 H8 N2 O4
• Title of publication: The crystal structure of 1,2-dimethyl-3,4-dinitrobenzene, C8H8N2O4
• Authors of publication: Fanfan, Shen; Shaomin, Xue; Jianlong, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 215 - 216
• a: 7.8936 ± 0.0007 Å
• b: 14.421 ± 0.0013 Å
• c: 16.0109 ± 0.0015 Å
• α: 90°
• β: 99.124 ± 0.003°
• γ: 90°
• Cell volume: 1799.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No