Information card for entry 2213697

Structure parameters

• Common name: Potassium N-chlorobenzenesulfonamidate monohydrate
• Chemical name: Potassium N-chlorobenzenesulfonamidate monohydrate
• Formula: C6 H7 Cl K N O3 S
• Calculated formula: C6 H7 Cl K N O3 S
• SMILES: c1(ccccc1)S(=O)([O-])=NCl.O.[K+]
• Title of publication: Potassium <i>N</i>-chlorobenzenesulfonamidate monohydrate
• Authors of publication: B. Thimme Gowda; 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: m1688 - m1688
• a: 10.214 ± 0.001 Å
• b: 6.8111 ± 0.0004 Å
• c: 28.336 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1971.3 ± 0.2 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes