Information card for entry 2232283

Structure parameters

• Chemical name: 3-(2<i>H</i>-1,3-Benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)- 1,3-thiazolidin-4-one
• Formula: C18 H17 N O4 S
• Calculated formula: C18 H17 N O4 S
• SMILES: S1C(N(C(=O)C1)Cc1cc2OCOc2cc1)c1c(OC)cccc1
• Title of publication: 3-(2<i>H</i>-1,3-Benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
• Authors of publication: Facchinetti, Victor; Gomes, Claudia R. B.; Cunico, Wilson; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2970 - o2971
• a: 6.8137 ± 0.0003 Å
• b: 12.5753 ± 0.0007 Å
• c: 18.5071 ± 0.0009 Å
• α: 90°
• β: 91.825 ± 0.003°
• γ: 90°
• Cell volume: 1584.96 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes