Information card for entry 2017942

Structure parameters

• Chemical name: 3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
• Formula: C16 H14 F N O S
• Calculated formula: C16 H14 F N O S
• SMILES: Fc1ccc(cc1)C1SCC(=O)N1Cc1ccccc1
• Title of publication: 3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
• Authors of publication: Gutiérrez, Alexander; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o10 - o12
• a: 9.6931 ± 0.0009 Å
• b: 16.8888 ± 0.0016 Å
• c: 16.4202 ± 0.0018 Å
• α: 90°
• β: 94.706 ± 0.012°
• γ: 90°
• Cell volume: 2679 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes