Information card for entry 2200138

Structure parameters

• Common name: Bis(4-nitrophenylsulfonyl)-1,3-phenylenediamine
• Chemical name: N,N'-m-Phenylenebis(4-nitrobenzenesulfonamide)
• Formula: C18 H14 N4 O8 S2
• Calculated formula: C18 H14 N4 O8 S2
• SMILES: S(=O)(=O)(Nc1cc(NS(=O)(=O)c2ccc(N(=O)=O)cc2)ccc1)c1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>,<i>N</i>'-<i>m</i>-Phenylenebis(4-nitrobenzenesulfonamide)
• Authors of publication: Heigel, Erik; Bock, Hans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o239 - o241
• a: 6.8331 ± 0.001 Å
• b: 16.4997 ± 0.0014 Å
• c: 17.329 ± 0.0013 Å
• α: 90°
• β: 90.216 ± 0.008°
• γ: 90°
• Cell volume: 1953.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes