Information card for entry 7116980

Structure parameters

• Common name: phenyl(2-thioxooxazolidin-3-yl)methanone
• Formula: C10 H9 N O2 S
• Calculated formula: C10 H9 N O2 S
• SMILES: S=C1OCCN1C(=O)c1ccccc1
• 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: 13.7485 ± 0.0007 Å
• b: 5.436 ± 0.0003 Å
• c: 25.063 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1873.13 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No