Information card for entry 2228912

Structure parameters

• Chemical name: 5-(4-Hydroxy-3-methoxybenzyl)-1,3-thiazolidine-2,4-dione monohydrate
• Formula: C11 H13 N O5 S
• Calculated formula: C11 H13 N O5 S
• SMILES: S1C(=O)NC(=O)C1Cc1cc(c(cc1)O)OC.O
• Title of publication: 5-(4-Hydroxy-3-methoxybenzyl)-1,3-thiazolidine-2,4-dione monohydrate
• Authors of publication: Xiong, Li-Yan; Wang, Ting-Fang; Zheng, Li-Ping; Zhang, Chuan; Wang, Feng-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o16
• a: 10.684 ± 0.004 Å
• b: 8.151 ± 0.003 Å
• c: 14.747 ± 0.005 Å
• α: 90°
• β: 99.657 ± 0.004°
• γ: 90°
• Cell volume: 1266 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes