Information card for entry 2226531

Structure parameters

• Common name: diphenylmethanesulfonamide
• Chemical name: 4,4'-methylenebis(benzenesulfonamide)
• Formula: C13 H14 N2 O4 S2
• Calculated formula: C13 H14 N2 O4 S2
• SMILES: S(=O)(=O)(N)c1ccc(Cc2ccc(S(=O)(=O)N)cc2)cc1
• Title of publication: Polymorphic form II of 4,4'-methylenebis(benzenesulfonamide)
• Authors of publication: Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1619
• a: 10.8251 ± 0.0005 Å
• b: 5.0791 ± 0.0003 Å
• c: 12.6912 ± 0.0005 Å
• α: 90°
• β: 90.931 ± 0.003°
• γ: 90°
• Cell volume: 697.69 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes