Information card for entry 2219689

Structure parameters

• Chemical name: N-(2-Nitrophenylsulfonyl)-N-(4-nitrophenylsulfonyl)methylamine
• Formula: C13 H11 N3 O8 S2
• Calculated formula: C13 H11 N3 O8 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1c(N(=O)=O)cccc1)C)c1ccc(cc1)N(=O)=O
• Title of publication: <i>N</i>-(2-Nitrophenylsulfonyl)-<i>N</i>-(4-nitrophenylsulfonyl)methylamine
• Authors of publication: Lu, Haiyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1885
• a: 13.517 ± 0.003 Å
• b: 9.994 ± 0.002 Å
• c: 11.99 ± 0.002 Å
• α: 90°
• β: 95.26 ± 0.03°
• γ: 90°
• Cell volume: 1612.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.031
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes