Information card for entry 2200359

Structure parameters

• Chemical name: Methyl (2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetate
• Formula: C18 H15 N O3 S
• Calculated formula: C18 H15 N O3 S
• SMILES: S1C(=C\c2ccccc2)/C(=O)N(c2c1cccc2)CC(=O)OC
• Title of publication: Methyl (2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetate
• Authors of publication: Zerzouf, A.; Salem, M.; Essassi, E. M.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o498 - o499
• a: 19.0388 ± 0.0006 Å
• b: 9.6511 ± 0.0003 Å
• c: 20.9817 ± 0.0006 Å
• α: 90°
• β: 155.492 ± 0.001°
• γ: 90°
• Cell volume: 1599.25 ± 0.1 ų
• Cell temperature: 298 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: 0.048
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections: 1.398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes