Information card for entry 2240164

Structure parameters

• Common name: (±)-3-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
• Formula: C20 H21 N O6 S
• Calculated formula: C20 H21 N O6 S
• SMILES: S1CC(=O)N(Cc2cc3OCOc3cc2)C1c1cc(OC)c(OC)c(OC)c1
• Title of publication: Crystal structure of (±)-3-[(benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
• Authors of publication: Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; De Simone, Carlos A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1235 - o1236
• a: 15.3098 ± 0.0011 Å
• b: 14.3677 ± 0.0012 Å
• c: 8.6546 ± 0.0003 Å
• α: 90°
• β: 97.429 ± 0.004°
• γ: 90°
• Cell volume: 1887.7 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0659
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes