Information card for entry 2008496

Structure parameters

• Common name: N,N'-dibenzenesulfonylputrescine
• Chemical name: N-{4-[(benzenesulfonyl)amino]butyl}benzenesulfonamide
• Formula: C16 H20 N2 O4 S2
• Calculated formula: C16 H20 N2 O4 S2
• SMILES: O=S(=O)(c1ccccc1)NCCCCNS(=O)(=O)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzenesulfonylputrescine
• Authors of publication: Linden, Anthony; Bienz, Stefan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900046
• a: 10.649 ± 0.002 Å
• b: 5.8777 ± 0.0016 Å
• c: 14.8257 ± 0.0015 Å
• α: 90°
• β: 107.705 ± 0.01°
• γ: 90°
• Cell volume: 884 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No