Information card for entry 2230618

Structure parameters

• Chemical name: Potassium <i>N</i>-bromo-4-chlorobenzenesulfonamidate monohydrate
• Formula: C6 H6 Br Cl K N O3 S
• Calculated formula: C6 H6 Br Cl K N O3 S
• SMILES: BrN=S([O-])(=O)c1ccc(Cl)cc1.[K+].O
• Title of publication: Potassium <i>N</i>-bromo-4-chlorobenzenesulfonamidate monohydrate
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m962
• a: 15.596 ± 0.001 Å
• b: 10.188 ± 0.001 Å
• c: 6.7649 ± 0.0007 Å
• α: 90°
• β: 99.947 ± 0.009°
• γ: 90°
• Cell volume: 1058.73 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes