Information card for entry 2206060

Structure parameters

• Chemical name: H-2,4-Dimethyl-6-phenyl-8,9-dihydropyrido[3',2':5,6][1,2]thiazino[3,2-c]- [1,4]oxazin-5-one-11,11-dioxide
• Formula: C18 H16 N2 O4 S
• Calculated formula: C18 H16 N2 O4 S
• SMILES: S1(=O)(=O)N2C(=C(OCC2)c2ccccc2)C(=O)c2c(cc(nc12)C)C
• Title of publication: 5<i>H</i>-2,4-Dimethyl-6-phenyl-8,9-dihydropyrido[3',2':5,6][1,2]thiazino[3,2-<i>c</i>][1,4]oxazin-5-one 11,11-dioxide
• Authors of publication: Karczmarzyk, Zbigniew; Malinka, Wiesław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1649 - o1651
• a: 7.618 ± 0.001 Å
• b: 10.28 ± 0.002 Å
• c: 10.936 ± 0.001 Å
• α: 90°
• β: 99.55 ± 0.01°
• γ: 90°
• Cell volume: 844.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes