Information card for entry 2238985

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(methanesulfonamide)
• Formula: C4 H12 N2 O4 S2
• Calculated formula: C4 H12 N2 O4 S2
• SMILES: CS(=O)(=O)NCCNS(=O)(=O)C
• Title of publication: <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(methanesulfonamide)
• Authors of publication: Chan, Wesley Ting Kwok; Kung, Ka Yan Karen; Wong, Man-kin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o152
• a: 10.5668 ± 0.0011 Å
• b: 5.6092 ± 0.0006 Å
• c: 8.5141 ± 0.0009 Å
• α: 90°
• β: 109.79 ± 0.006°
• γ: 90°
• Cell volume: 474.84 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes