Information card for entry 2213691

Structure parameters

• Chemical name: Sodium 4,N-dichlorobenzenesulfonamidate sesquihydrate
• Formula: C6 H7 Cl2 N Na O3.5 S
• Calculated formula: C6 H7 Cl2 N Na O3.5 S
• SMILES: c1(ccc(cc1)Cl)S(=O)([O-])=NCl.[Na+].O.O
• Title of publication: Sodium 4,<i>N</i>-dichlorobenzenesulfonamidate sesquihydrate
• Authors of publication: B. Thimme Gowda; K. Jyothi; Sabine Foro; Jozef Kožíšek; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1644 - m1645
• a: 6.7041 ± 0.0004 Å
• b: 10.4763 ± 0.0008 Å
• c: 30.037 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2109.6 ± 0.2 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 7
• 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: 0.1106
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes