Information card for entry 2201123

Structure parameters

• Formula: C6 H8 N2 O2 S2
• Calculated formula: C6 H8 N2 O2 S2
• SMILES: S1(=O)(=O)C(=CN=C2SCCN12)C
• Title of publication: 2-Methyl-6,7-dihydrothiazolo[3,2-<i>b</i>][1,2,4]thiadiazine 1,1-dioxide
• Authors of publication: Evain, Michel; Landreau, Cyrille; Deniaud, David; Reliquet, Alain; Meslin, Jean Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o362 - o363
• a: 8.3906 ± 0.0008 Å
• b: 8.4339 ± 0.0008 Å
• c: 12.09 ± 0.0011 Å
• α: 90°
• β: 98.036 ± 0.012°
• γ: 90°
• Cell volume: 847.15 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes