Information card for entry 1543885

Structure parameters

• Chemical name: (<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one
• Formula: C13 H10 F N O S2
• Calculated formula: C13 H10 F N O S2
• SMILES: c1(ccc(cc1)/C=C1\SC(=S)N(C1=O)CC=C)F
• Title of publication: (<i>Z</i>)-3-Allyl-5-(4-fluorobenzylidene)-2-sulfanylidenethiazolidin-4-one
• Authors of publication: El Ajlaoui, Rahhal; Belkhouya, Najat; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161236
• a: 4.7764 ± 0.001 Å
• b: 11.75 ± 0.003 Å
• c: 13.067 ± 0.003 Å
• α: 109.917 ± 0.01°
• β: 99.766 ± 0.011°
• γ: 101.71 ± 0.01°
• Cell volume: 652 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes