Information card for entry 2241331

Structure parameters

• Chemical name: (5<i>Z</i>)-5-(2-Hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
• Formula: C10 H7 N O3 S
• Calculated formula: C10 H7 N O3 S
• SMILES: S1C(=C\c2ccccc2O)/C(=O)NC1=O
• Title of publication: Crystal structure of (5<i>Z</i>)-5-(2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o965 - o966
• a: 7.204 ± 0.0007 Å
• b: 13.6544 ± 0.0014 Å
• c: 18.9346 ± 0.0018 Å
• α: 90.226 ± 0.002°
• β: 95.531 ± 0.002°
• γ: 91.33 ± 0.002°
• Cell volume: 1853.3 ± 0.3 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: 0.0993
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes