Information card for entry 2236505

Structure parameters

• Chemical name: Potassium <i>N</i>-bromo-2,4-dichlorobenzenesulfonamidate sesquihydrate
• Formula: C6 H6 Br Cl2 K N O3.5 S
• Calculated formula: C6 H6 Br Cl2 K N O3.5 S
• SMILES: O.c1(c(cc(cc1)Cl)Cl)S(=NBr)(=O)[O-].[K+].O
• Title of publication: Potassium <i>N</i>-bromo-2,4-dichlorobenzenesulfonamidate sesquihydrate
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Spandana, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1368
• a: 12.5263 ± 0.0007 Å
• b: 6.7638 ± 0.0004 Å
• c: 29.703 ± 0.002 Å
• α: 90°
• β: 98.352 ± 0.005°
• γ: 90°
• Cell volume: 2489.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes