Information card for entry 2238481

Structure parameters

• Chemical name: 2-Isopropyl-2-(6-methoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-1,3-thiazolidin-4-one
• Formula: C16 H20 N2 O2 S2
• Calculated formula: C16 H20 N2 O2 S2
• SMILES: COc1ccc2c(c1)sc(n2)C1(NC(=O)C(S1)(C)C)C(C)C
• Title of publication: 2-Isopropyl-2-(6-methoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-1,3-thiazolidin-4-one
• Authors of publication: Würfel, Hendryk; Görls, Helmar; Weiss, Dieter; Beckert, Rainer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1391
• a: 11.3755 ± 0.0003 Å
• b: 11.9028 ± 0.0003 Å
• c: 12.5261 ± 0.0003 Å
• α: 86.122 ± 0.001°
• β: 85.949 ± 0.001°
• γ: 89.206 ± 0.001°
• Cell volume: 1687.86 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes