Information card for entry 2207038

Structure parameters

• Chemical name: Phenyl 1,3-thiazolidine-2-thione-3-carboxylate
• Formula: C10 H9 N O2 S2
• Calculated formula: C10 H9 N O2 S2
• SMILES: S=C1SCCN1C(=O)Oc1ccccc1
• Title of publication: Phenyl 2-thioxo-1,3-thiazolidine-3-carboxylate
• Authors of publication: Jian-Quan Weng; De-Long Shen; Cheng-Xia Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3289 - o3290
• a: 11.5465 ± 0.0006 Å
• b: 8.9066 ± 0.0004 Å
• c: 11.9102 ± 0.0006 Å
• α: 90°
• β: 116.112 ± 0.002°
• γ: 90°
• Cell volume: 1099.83 ± 0.1 ų
• Cell temperature: 293 ± 1 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: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes