Information card for entry 2229866

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-Bis[(2-methylphenyl)sulfonyl]adipamide
• Chemical name: <i>N</i>,<i>N</i>'-Bis[(2-methylphenyl)sulfonyl]hexanediamide
• Formula: C20 H24 N2 O6 S2
• Calculated formula: C20 H24 N2 O6 S2
• SMILES: O=C(NS(=O)(=O)c1ccccc1C)CCCCC(=O)NS(=O)(=O)c1ccccc1C
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(2-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: o789
• a: 11.928 ± 0.002 Å
• b: 5.523 ± 0.001 Å
• c: 16.447 ± 0.004 Å
• α: 90°
• β: 96.05 ± 0.02°
• γ: 90°
• Cell volume: 1077.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes