Information card for entry 2231649

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(<i>p</i>-toluenesulfonamide)
• Formula: C17 H22 N2 O4 S2
• Calculated formula: C17 H22 N2 O4 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCNS(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(<i>p</i>-toluenesulfonamide)
• Authors of publication: Khan, Islam Ullah; Sheikh, Tahir Ali; Ejaz; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2371
• a: 12.3169 ± 0.0009 Å
• b: 18.0787 ± 0.0015 Å
• c: 8.3819 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1866.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes