Information card for entry 2233114

Structure parameters

• Chemical name: (5<i>S</i>)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• Formula: C10 H9 N O S2
• Calculated formula: C10 H9 N O S2
• SMILES: S1C(=S)N(C(=O)[C@@H]1C)c1ccccc1
• Title of publication: (5<i>S</i>)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• Authors of publication: Jiang, Jun-Rong; Xu, Feng; Ke, Zhong-Lu; Li, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o34
• a: 6.8527 ± 0.0004 Å
• b: 8.6643 ± 0.0005 Å
• c: 17.5572 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1042.44 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes