Information card for entry 2225490

Structure parameters

• Chemical name: Sodium <i>N</i>,2-dichlorobenzenesulfonamidate sesquihydrate
• Formula: C6 H7 Cl2 N Na O3.5 S
• Calculated formula: C6 H7 Cl2 N Na O3.5 S
• SMILES: c1(c(cccc1)Cl)S(=O)([O-])=NCl.[Na+].O.O
• Title of publication: Sodium <i>N</i>,2-dichlorobenzenesulfonamidate sesquihydrate
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o889
• a: 11.1288 ± 0.0007 Å
• b: 6.6724 ± 0.0004 Å
• c: 28.144 ± 0.002 Å
• α: 90°
• β: 102.274 ± 0.006°
• γ: 90°
• Cell volume: 2042.1 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes