Information card for entry 2201475

Structure parameters

• Chemical name: 2-(2,4-Dibromophenylamino)-7-nitrobenzisoselenazol-3-one
• Formula: C13 H7 Br2 N3 O3 Se
• Calculated formula: C13 H7 Br2 N3 O3 Se
• Title of publication: 2-(2,4-Dibromophenylamino)-7-nitrobenzisoselenazol-3-one
• Authors of publication: Dupont, Léon; Messali, Mouslim; Christiaens, Léon; Evrard, Guy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o828 - o830
• a: 13.8685 ± 0.001 Å
• b: 8.6075 ± 0.001 Å
• c: 25.233 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3012.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes