Information card for entry 2224240

Structure parameters

• Chemical name: 3-(2-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
• Formula: C10 H9 N O S2
• Calculated formula: C10 H9 N O S2
• SMILES: S1CC(=O)N(c2c(cccc2)C)C1=S
• Title of publication: 3-(2-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Yasmeen, Asma; Ahmad, Naeem; Khan, Muhammad Akmal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3014
• a: 23.69 ± 0.005 Å
• b: 7.1401 ± 0.0017 Å
• c: 14.628 ± 0.003 Å
• α: 90°
• β: 122.215 ± 0.006°
• γ: 90°
• Cell volume: 2093.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes