Information card for entry 2239579

Structure parameters

• Chemical name: (2<i>Z</i>)-2-Benzylidene-4-<i>n</i>-utyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one
• Formula: C19 H19 N O S
• Calculated formula: C19 H19 N O S
• SMILES: CCCCN1C(=O)C(=C/c2ccccc2)/Sc2c1cccc2
• Title of publication: (2<i>Z</i>)-2-Benzylidene-4-<i>n</i>-butyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one
• Authors of publication: Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o686
• a: 8.7717 ± 0.0013 Å
• b: 8.8631 ± 0.0013 Å
• c: 12.3184 ± 0.0016 Å
• α: 88.283 ± 0.009°
• β: 82.302 ± 0.009°
• γ: 60.895 ± 0.008°
• Cell volume: 828.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes