Information card for entry 7116979

Structure parameters

• Common name: 3-benzoylthiazolidin-2-one
• Formula: C10 H9 N O2 S
• Calculated formula: C10 H9 N O2 S
• SMILES: S1CCN(C(=O)c2ccccc2)C1=O
• Title of publication: Exploring hydrogen peroxide responsive thiazolidinone-based prodrugs
• Authors of publication: Perez, Christian; Monserrat, Jean-Philippe; Chen, Yao; Cohen, Seth M.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 33
• Pages of publication: 7116 - 7119
• a: 11.222 ± 0.002 Å
• b: 12.458 ± 0.003 Å
• c: 13.769 ± 0.003 Å
• α: 90°
• β: 91.055 ± 0.011°
• γ: 90°
• Cell volume: 1924.6 ± 0.7 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No