Information card for entry 1543472

Structure parameters

• Chemical name: Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
• Formula: C15 H15 N O4 S
• Calculated formula: C15 H15 N O4 S
• SMILES: S1/C(=C\c2ccc(cc2)C)C(=O)N(C1=O)CC(=O)OCC
• Title of publication: Ethyl 2-[(5<i>Z</i>)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
• Authors of publication: Khalid, Karrouchi; Tachallait, Hamza; Khalid, Bougrin; Mague, Joel T.; Ramli, Youssef
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160851
• a: 4.731 ± 0.0001 Å
• b: 11.9082 ± 0.0003 Å
• c: 13.2907 ± 0.0004 Å
• α: 87.354 ± 0.001°
• β: 82.381 ± 0.001°
• γ: 85.283 ± 0.001°
• Cell volume: 739.17 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes