Information card for entry 2000466

Structure parameters

• Formula: C6 H13 N4 Na O7 S2
• Calculated formula: C6 H13 N4 Na O7 S2
• SMILES: O.C1Cn2c(nc(c(c2=O)NS(=O)(=O)[O-])N)S1.O.[Na+].O
• Title of publication: Structure of sodium (7-amino-2,3-dihydro-5-oxo-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-6-yl)sulfamate trihydrate
• Authors of publication: Pecorari, P.; Rinaldi, M.; Antolini, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2027 - 2029
• a: 7.083 ± 0.001 Å
• b: 9.359 ± 0.001 Å
• c: 9.809 ± 0.002 Å
• α: 89.92 ± 0.01°
• β: 81.46 ± 0.02°
• γ: 80.66 ± 0.01°
• Cell volume: 634.33 ± 0.18 ų
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No