Information card for entry 2019956

Structure parameters

• Common name: 2-(<i>p</i>-tolyl)-4<i>H</i>-benzo[<i>e</i>][1,3]thiazine
• Chemical name: 2-(4-Methylphenyl)-4<i>H</i>-1,3-benzothiazine
• Formula: C15 H13 N S
• Calculated formula: C15 H13 N S
• SMILES: S1c2c(CN=C1c1ccc(cc1)C)cccc2
• Title of publication: Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine
• Authors of publication: Sandhya, N. C.; Chandra,; Suresha, G. P.; Lokanath, N. K.; Mahendra, M.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o74
• a: 15.1241 ± 0.0009 Å
• b: 6.0111 ± 0.0004 Å
• c: 14.3212 ± 0.0009 Å
• α: 90°
• β: 110.268 ± 0.002°
• γ: 90°
• Cell volume: 1221.36 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes