Information card for entry 1543318

Structure parameters

• Chemical name: (2<i>Z</i>)-4-Benzyl-[(4-chlorophenyl)methylidene]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
• Formula: C22 H16 Cl N O S
• Calculated formula: C22 H16 Cl N O S
• SMILES: Clc1ccc(/C=C2\Sc3ccccc3N(C2=O)Cc2ccccc2)cc1
• Title of publication: 4-Benzyl-2-(4-chlorobenzylidene)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
• Authors of publication: Ellouz, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Ouzidan, Younes; Mague, Joel T.; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160764
• a: 11.8931 ± 0.0011 Å
• b: 6.5358 ± 0.0006 Å
• c: 22.817 ± 0.002 Å
• α: 90°
• β: 93.239 ± 0.001°
• γ: 90°
• Cell volume: 1770.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes