Information card for entry 1543622

Structure parameters

• Chemical name: Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
• Formula: C15 H15 N O5 S
• Calculated formula: C15 H15 N O5 S
• SMILES: S1/C(=C\c2ccc(OC)cc2)C(=O)N(C1=O)CC(=O)OCC
• Title of publication: Ethyl 2-[(5<i>Z</i>)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
• Authors of publication: Tachallait, Hamza; Karrouchi, Khalid; Bougrin, Khalid; Mague, Joel T.; Ramli, Youssef
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161041
• a: 6.1957 ± 0.0002 Å
• b: 10.646 ± 0.0003 Å
• c: 12.2909 ± 0.0003 Å
• α: 68.845 ± 0.001°
• β: 78.971 ± 0.001°
• γ: 84.919 ± 0.001°
• Cell volume: 741.93 ± 0.04 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: 0.0324
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes