Information card for entry 2228911

Structure parameters

• Chemical name: (<i>Z</i>)-2-[(2,4-Dimethylphenyl)imino]-1,3-thiazinan-4-one
• Formula: C12 H14 N2 O S
• Calculated formula: C12 H14 N2 O S
• SMILES: S1/C(=N\c2ccc(C)cc2C)NC(=O)CC1
• Title of publication: (<i>Z</i>)-2-[(2,4-Dimethylphenyl)imino]-1,3-thiazinan-4-one
• Authors of publication: Zhao, Hua-Rong; Meng, Xiang-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o110
• a: 7.2325 ± 0.0004 Å
• b: 9.2 ± 0.0007 Å
• c: 10.0513 ± 0.0007 Å
• α: 114.184 ± 0.007°
• β: 94.647 ± 0.005°
• γ: 97.91 ± 0.005°
• Cell volume: 597.27 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes