Information card for entry 7156020

Structure parameters

• Formula: C17 H17 Cl N2 O3 S2
• Calculated formula: C17 H17 Cl N2 O3 S2
• SMILES: S(=O)(=O)(N1C(=N\c2ccc(Cl)cc2)\SC(C1)CO)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: 10.9934 ± 0.0013 Å
• b: 15.541 ± 0.002 Å
• c: 10.7812 ± 0.0015 Å
• α: 90°
• β: 99.582 ± 0.004°
• γ: 90°
• Cell volume: 1816.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No