Information card for entry 7156021

Structure parameters

• Formula: C18 H19 Cl N2 O2 S2
• Calculated formula: C18 H19 Cl N2 O2 S2
• SMILES: S(=O)(=O)(N1/C(=N/c2ccc(cc2)C)SCC1)c1c(C)cc(Cl)c(c1)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: 17.218 ± 0.007 Å
• b: 7.657 ± 0.003 Å
• c: 14.611 ± 0.006 Å
• α: 90°
• β: 103.225 ± 0.012°
• γ: 90°
• Cell volume: 1875.2 ± 1.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1276
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No