Information card for entry 2234408

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[1,3-Phenylenebis(methylene)]di-<i>p</i>-toluenesulfonamide
• Formula: C22 H24 N2 O4 S2
• Calculated formula: C22 H24 N2 O4 S2
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NCc1cccc(c1)CNS(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>'-[1,3-Phenylenebis(methylene)]di-<i>p</i>-toluenesulfonamide
• Authors of publication: Ejaz; Khan, Islam Ullah; Harrison, William T. A.; Anjum, Rukhsana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o950
• a: 7.7562 ± 0.0003 Å
• b: 8.7905 ± 0.0003 Å
• c: 17.1479 ± 0.0005 Å
• α: 87.554 ± 0.001°
• β: 86.151 ± 0.001°
• γ: 70.895 ± 0.001°
• Cell volume: 1102 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes