Information card for entry 1546680

Structure parameters

• Chemical name: (<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
• Formula: C19 H18 Cl N O S
• Calculated formula: C19 H18 Cl N O S
• SMILES: Clc1ccc(/C=C2\Sc3ccccc3N(C2=O)CCCC)cc1
• Title of publication: (<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
• Authors of publication: Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: x170870
• a: 8.8898 ± 0.0008 Å
• b: 8.9885 ± 0.0009 Å
• c: 12.1973 ± 0.001 Å
• α: 89.908 ± 0.008°
• β: 84.49 ± 0.007°
• γ: 63.534 ± 0.009°
• Cell volume: 867.53 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes