Information card for entry 2240198

Structure parameters

• Chemical name: (2<i>S</i>,4<i>S</i>)-5,5-Dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid
• Formula: C11 H14 N2 O2 S
• Calculated formula: C11 H14 N2 O2 S
• SMILES: S1[C@H](N[C@H](C1(C)C)C(=O)O)c1ncccc1
• Title of publication: Crystal structure of (2<i>S</i>,4<i>S</i>)-5,5-dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid
• Authors of publication: Laskar, Payel; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1264
• a: 7.906 ± 0.004 Å
• b: 11.306 ± 0.005 Å
• c: 13.504 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1207.1 ± 1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes