Information card for entry 2200040

Structure parameters

• Chemical name: Thiazolidine-2,4-dione
• Formula: C3 H3 N O2 S
• Calculated formula: C3 H3 N O2 S
• SMILES: O=C1SCC(=O)N1
• Title of publication: Redetermination of 1,3-thiazolidine-2,4-dione
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o79 - o80
• a: 7.2926 ± 0.0002 Å
• b: 9.3642 ± 0.0003 Å
• c: 13.1208 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 896.01 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes