Information card for entry 2205118

Structure parameters

• Common name: N,N'-(o-Phenylene)dibenzenesulfonamide
• Chemical name: N,N'-(o-Phenylene)dibenzenesulfonamide
• Formula: C18 H16 N2 O4 S2
• Calculated formula: C18 H16 N2 O4 S2
• SMILES: S(=O)(=O)(Nc1c(NS(=O)(=O)c2ccccc2)cccc1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-(<i>o</i>-Phenylene)dibenzenesulfonamide
• Authors of publication: Bryan, Jeffrey C.; Rosenberg, Jay M.; Kavallieratos, Konstantinos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o396 - o397
• a: 9.5311 ± 0.0008 Å
• b: 12.5662 ± 0.001 Å
• c: 14.9862 ± 0.0012 Å
• α: 90°
• β: 103.774 ± 0.007°
• γ: 90°
• Cell volume: 1743.3 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.047
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes