Information card for entry 2230056

Structure parameters

• Chemical name: <i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo- 1,3-thiazolidin-3-yl}acetate
• Formula: C24 H29 N3 O5 S
• Calculated formula: C24 H29 N3 O5 S
• SMILES: c1cccc(n1)N(C)CCOc1ccc(cc1)CC1C(=O)N(C(=O)S1)CC(=O)OC(C)(C)C
• Title of publication: <i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
• Authors of publication: Hu, Sixing; Liang, Guojuan; Fang, Dashu; Gan, Yongjun; Hu, Xiangnan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1075
• a: 25.621 ± 0.005 Å
• b: 9.886 ± 0.002 Å
• c: 9.874 ± 0.002 Å
• α: 90°
• β: 97.32 ± 0.03°
• γ: 90°
• Cell volume: 2480.6 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes