Information card for entry 2006488

Structure parameters

• Chemical name: N-chlorodimesylamine
• Formula: C2 H6 Cl N O4 S2
• Calculated formula: C2 H6 Cl N O4 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)C)Cl)C
• Title of publication: Polysulfonylamines. LXXXV. <i>N</i>-Chlorodimesylamine
• Authors of publication: Moers, Oliver; Blaschette, Armand; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1305 - 1307
• a: 7.8306 ± 0.0008 Å
• b: 10.0242 ± 0.0008 Å
• c: 9.5404 ± 0.0012 Å
• α: 90°
• β: 92.282 ± 0.01°
• γ: 90°
• Cell volume: 748.28 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0222
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for all reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0549
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No