Information card for entry 2233387

Structure parameters

• Chemical name: Methyl (2<i>E</i>)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3- phenylprop-2-enoate
• Formula: C14 H13 N O4 S
• Calculated formula: C14 H13 N O4 S
• SMILES: C1(=O)CSC(=O)N1CC(=C\c1ccccc1)/C(=O)OC
• Title of publication: Methyl (2<i>E</i>)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3-phenylprop-2-enoate
• Authors of publication: Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o328 - o329
• a: 11.9274 ± 0.0003 Å
• b: 15.6064 ± 0.0006 Å
• c: 7.2949 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1357.9 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes