Information card for entry 2208389

Structure parameters

• Chemical name: 1,2-dibromo-4,5-dimethyl-3-nitrobenzene‒ 1,2-dibromo-4,5,6-trimethyl-3-nitrobenzene (1/1)
• Formula: C17 H16 Br4 N2 O4
• Calculated formula: C17 H16 Br4 N2 O4
• Title of publication: Cocrystallized 1,2-dibromo-4,5-dimethyl-3-nitrobenzene and 1,2-dibromo-4,5,6-trimethyl-3-nitrobenzene
• Authors of publication: Janet M. S. Skakle; Björn Gojdka; James L. Wardell
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1001 - o1002
• a: 8.973 ± 0.0003 Å
• b: 7.1165 ± 0.0002 Å
• c: 15.2972 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 976.82 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes