Information card for entry 2230823

Structure parameters

• Chemical name: <i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide
• Formula: C15 H18 N2 O4 S2
• Calculated formula: C15 H18 N2 O4 S2
• SMILES: c1(ccccc1)S(=O)(=O)NCCCNS(=O)(=O)c1ccccc1
• Title of publication: <i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide
• Authors of publication: Sheikh, Tahir Ali; Khan, Islam Ullah; Harrison, William T. A.; Ejaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1737
• a: 9.265 ± 0.0013 Å
• b: 16.402 ± 0.002 Å
• c: 22.74 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3455.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1514
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes