Information card for entry 1544778

Structure parameters

• Chemical name: (5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione
• Formula: C16 H17 N O6 S
• Calculated formula: C16 H17 N O6 S
• SMILES: S1/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N(C1=O)CC(=O)C
• Title of publication: (5<i>Z</i>)-3-(2-Oxopropyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein; Lebegue, Nicolas; Albayati, Mustafa R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 12
• Pages of publication: x161959
• a: 7.2771 ± 0.0005 Å
• b: 9.9612 ± 0.0007 Å
• c: 11.9257 ± 0.0008 Å
• α: 78.778 ± 0.001°
• β: 75.616 ± 0.001°
• γ: 72.829 ± 0.001°
• Cell volume: 793.16 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes