Information card for entry 1546642

Structure parameters

• Chemical name: (2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one
• Formula: C20 H17 Cl N2 O3 S
• Calculated formula: C20 H17 Cl N2 O3 S
• SMILES: Clc1ccc(/C=C/2Sc3ccccc3N(C2=O)CCN2C(=O)OCC2)cc1
• Title of publication: (2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one
• Authors of publication: Ellouz, Mohamed; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170646
• a: 6.2315 ± 0.0003 Å
• b: 15.5466 ± 0.0008 Å
• c: 18.9162 ± 0.001 Å
• α: 90°
• β: 98.845 ± 0.001°
• γ: 90°
• Cell volume: 1810.78 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes