Information card for entry 2239541

Structure parameters

• Chemical name: 2,3-Diphenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one
• Formula: C19 H14 N2 O S
• Calculated formula: C19 H14 N2 O S
• SMILES: C1(=O)c2cccnc2SC(c2ccccc2)N1c1ccccc1
• Title of publication: 2,3-Diphenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one
• Authors of publication: Yennawar, Hemant P.; Singh, Harnoor; Silverberg, Lee J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o638
• a: 9.069 ± 0.007 Å
• b: 9.772 ± 0.007 Å
• c: 10.15 ± 0.007 Å
• α: 80.32 ± 0.011°
• β: 63.737 ± 0.01°
• γ: 78.591 ± 0.012°
• Cell volume: 787.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes