Information card for entry 8106342

Structure parameters

• Chemical name: 1,2-dimethyl-3,5-dinitrobenzene
• Formula: C8 H8 N2 O4
• Calculated formula: C8 H8 N2 O4
• Title of publication: Crystal structure of 1,2-dimethyl-3,5-dinitrobenzene, C8H8N2O4
• Authors of publication: Jianlong, Wang; Shaomin, Xue; Fanfan, Shen; Zishuai, Xu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 909 - 910
• a: 14.6418 ± 0.0013 Å
• b: 3.8852 ± 0.0004 Å
• c: 15.7884 ± 0.0015 Å
• α: 90°
• β: 108.417 ± 0.003°
• γ: 90°
• Cell volume: 852.14 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No