Information card for entry 2227074

Structure parameters

• Chemical name: 3-(4-Methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• Formula: C10 H9 N O S2
• Calculated formula: C10 H9 N O S2
• SMILES: S1CC(=O)N(c2ccc(cc2)C)C1=S
• Title of publication: 3-(4-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Raza, Muhammad Asam; Aslam, Saherish
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2159
• a: 14.5885 ± 0.0018 Å
• b: 5.5766 ± 0.0006 Å
• c: 12.991 ± 0.0015 Å
• α: 90°
• β: 100.603 ± 0.006°
• γ: 90°
• Cell volume: 1038.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes