Information card for entry 2233592

Structure parameters

• Common name: dapsone-1,3,5-trinitrobenzene 1:2 adduct
• Chemical name: 4-(4-Aminophenylsulfonyl)aniline‒1,3,5-trinitrobenzene (1/2)
• Formula: C24 H18 N8 O14 S
• Calculated formula: C24 H18 N8 O14 S
• Title of publication: 4-(4-Aminophenylsulfonyl)aniline‒1,3,5-trinitrobenzene (1/2)
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o494
• a: 8.3196 ± 0.0002 Å
• b: 18.3524 ± 0.0005 Å
• c: 18.6285 ± 0.0005 Å
• α: 83.577 ± 0.002°
• β: 87.539 ± 0.002°
• γ: 88.237 ± 0.002°
• Cell volume: 2822.86 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes