Information card for entry 2208593

Structure parameters

• Chemical name: 3-Methyl-5-(4-oxo-4H-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione
• Formula: C14 H9 N O4 S
• Calculated formula: C14 H9 N O4 S
• SMILES: S1C(=C/c2c(=O)c3ccccc3oc2)\C(=O)N(C1=O)C
• Title of publication: 3-Methyl-5-(4-oxo-4<i>H</i>-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione
• Authors of publication: Aslantaş, Mehmet; Ceylan–Ünlüsoy, Meltem; Ertan, Rahmiye; Kendi, Engin; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1471 - o1473
• a: 5.5926 ± 0.0003 Å
• b: 27.063 ± 0.0002 Å
• c: 7.6829 ± 0.0004 Å
• α: 90°
• β: 92.439 ± 0.004°
• γ: 90°
• Cell volume: 1161.77 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No