Information card for entry 7156019

Structure parameters

• Formula: C10 H11 N O2 S3
• Calculated formula: C10 H11 N O2 S3
• SMILES: S(=O)(=O)(N1C(=S)SCC1)c1ccc(cc1)C
• Title of publication: Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.
• Authors of publication: Anitha, Mandala; Swamy, K. C. Kumara
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 402 - 413
• a: 6.1417 ± 0.0008 Å
• b: 9.665 ± 0.0013 Å
• c: 20.803 ± 0.003 Å
• α: 90°
• β: 97.498 ± 0.002°
• γ: 90°
• Cell volume: 1224.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No