Information card for entry 2006677

Structure parameters

• Chemical name: N-Benzyldi(methanesulfonyl)amine
• Formula: C9 H13 N O4 S2
• Calculated formula: C9 H13 N O4 S2
• SMILES: N(S(=O)(=O)C)(S(=O)(=O)C)Cc1ccccc1
• Title of publication: Polysulfonylamines. LXXXIX. <i>N</i>,<i>N</i>-Bis(methylsulfonyl)benzylamine
• Authors of publication: Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1669 - 1671
• a: 8.3369 ± 0.001 Å
• b: 9.506 ± 0.0012 Å
• c: 29.565 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2343 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.0745
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No