Information card for entry 2219548

Structure parameters

• Chemical name: <i>N</i>-(2-Aminophenylsulfonyl)-<i>N</i>-(2-nitrophenylsulfonyl)methylamine
• Formula: C13 H13 N3 O6 S2
• Calculated formula: C13 H13 N3 O6 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1c(N(=O)=O)cccc1)C)c1ccccc1N
• Title of publication: <i>N</i>-(2-Aminophenylsulfonyl)-<i>N</i>-(2-nitrophenylsulfonyl)methylamine
• Authors of publication: Li, Xu-Yun; Song, Zu-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1906
• a: 13.844 ± 0.003 Å
• b: 12.942 ± 0.002 Å
• c: 16.645 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2982.3 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes