Information card for entry 2229592

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[(4-methylphenyl)sulfonyl]adipamide
• Formula: C20 H24 N2 O6 S2
• Calculated formula: C20 H24 N2 O6 S2
• SMILES: O=C(NS(=O)(=O)c1ccc(cc1)C)CCCCC(=O)NS(=O)(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(4-methylphenyl)sulfonyl]adipamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o788
• a: 6.0011 ± 0.0009 Å
• b: 8.765 ± 0.001 Å
• c: 10.144 ± 0.002 Å
• α: 90.04 ± 0.01°
• β: 92.35 ± 0.01°
• γ: 98.01 ± 0.01°
• Cell volume: 527.91 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes