Information card for entry 2100777

Structure parameters

• Formula: C7 H5 Cl N Na O4 S
• Calculated formula: C7 Cl N Na O4 S
• SMILES: N1=S([O-])(=O)c2c(C1=O)cc(cc2)Cl.[Na+].O
• Title of publication: Structures of 4-methoxy-, 5-chloro-, 5-nitro- and 6-nitro-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide sodium salt (4-methoxy-, 5-chloro-, 5-nitro- and 6-nitrosaccharin)
• Authors of publication: Rudert, R.; Buschmann, J.; Luger, P.; Trummlitz, G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 269 - 275
• a: 4.71 ± 0.001 Å
• b: 29.686 ± 0.007 Å
• c: 6.982 ± 0.002 Å
• α: 90°
• β: 92.19 ± 0.02°
• γ: 90°
• Cell volume: 975.5 ± 0.4 ų
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No