Information card for entry 2200910

Structure parameters

• Chemical name: 2-N-Phenylacetamido-6H-1,3-thiazin-6-one
• Formula: C12 H10 N2 O2 S
• Calculated formula: C12 H10 N2 O2 S
• SMILES: s1c(nccc1=O)N(C(=O)C)c1ccccc1
• Title of publication: 2-(<i>N</i>-Phenylacetamido)-6<i>H</i>-1,3-thiazin-6-one
• 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: 3
• Pages of publication: o288 - o289
• a: 6.0696 ± 0.0005 Å
• b: 18.0716 ± 0.0009 Å
• c: 10.878 ± 0.0008 Å
• α: 90°
• β: 99.579 ± 0.01°
• γ: 90°
• Cell volume: 1176.54 ± 0.15 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0741
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.65
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes