Information card for entry 2228693

Structure parameters

• Chemical name: 3-Benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
• Formula: C10 H9 N O S2
• Calculated formula: C10 H9 N O S2
• SMILES: S=C1SCC(=O)N1Cc1ccccc1
• Title of publication: 3-Benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Raza, Muhammad Asam; Ahmad, Naeem; Aslam, Saherish
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o133
• a: 13.3271 ± 0.0004 Å
• b: 5.9025 ± 0.0002 Å
• c: 13.0396 ± 0.0004 Å
• α: 90°
• β: 92.812 ± 0.001°
• γ: 90°
• Cell volume: 1024.5 ± 0.06 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: 0.0359
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0791
• 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