Information card for entry 2208513

Structure parameters

• Common name: 4-Hydroxy-5,6-dihydro-4H-1,3-thiazine
• Chemical name: 4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-thiazine
• Formula: C17 H17 N O S
• Calculated formula: C17 H17 N O S
• SMILES: S1C(=N[C@](C[C@@H]1c1ccccc1)(O)C)c1ccccc1.S1C(=N[C@@](C[C@H]1c1ccccc1)(O)C)c1ccccc1
• Title of publication: 4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4<i>H</i>-1,3-thiazine
• Authors of publication: Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1218 - o1220
• a: 12.1452 ± 0.0002 Å
• b: 10.6688 ± 0.0002 Å
• c: 23.1573 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3000.6 ± 0.11 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes