Information card for entry 2206180

Structure parameters

• Chemical name: Methyl 2-amino-4-methyl-6-phenyl-6H-1,3-thiazine-5-carboxylate
• Formula: C13 H14 N2 O2 S
• Calculated formula: C13 H14 N2 O2 S
• SMILES: S1C(C(=C(N=C1N)C)C(=O)OC)c1ccccc1
• Title of publication: Methyl 2-amino-4-methyl-6-phenyl-6<i>H</i>-1,3-thiazine-5-carboxylate
• Authors of publication: Lin, Xu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2207 - o2208
• a: 11.3798 ± 0.0004 Å
• b: 8.7584 ± 0.0003 Å
• c: 13.39 ± 0.0006 Å
• α: 90°
• β: 99.178 ± 0.001°
• γ: 90°
• Cell volume: 1317.48 ± 0.09 ų
• Cell temperature: 295 ± 1 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 significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No