Information card for entry 2231776

Structure parameters

• Common name: 2,6-dinitro-p-xylene
• Chemical name: 2,5-Dimethyl-1,3-dinitrobenzene
• Formula: C8 H8 N2 O4
• Calculated formula: C8 H8 N2 O4
• Title of publication: 2,5-Dimethyl-1,3-dinitrobenzene
• Authors of publication: Johnston, Dean H.; Crather, Heather M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2276 - o2277
• a: 12.582 ± 0.003 Å
• b: 9.3868 ± 0.0017 Å
• c: 7.3565 ± 0.0014 Å
• α: 90°
• β: 91.963 ± 0.006°
• γ: 90°
• Cell volume: 868.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes