Information card for entry 2226743

Structure parameters

• Chemical name: Methyl 2-[(4-chloro-2-methoxy-5-oxo-2,5-dihydrofuran-3-yl)amino]acetate
• Formula: C8 H10 Cl N O5
• Calculated formula: C8 H10 Cl N O5
• SMILES: ClC1=C(NCC(=O)OC)C(OC1=O)OC
• Title of publication: Methyl 2-[(4-chloro-2-methoxy-5-oxo-2,5-dihydrofuran-3-yl)amino]acetate
• Authors of publication: Mo, Yang-Qing; Wang, Zhao-Yang; Fu, Jian-Hua; Fang, Hua-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1857
• a: 5.1366 ± 0.001 Å
• b: 9.8316 ± 0.0019 Å
• c: 20.685 ± 0.004 Å
• α: 90°
• β: 102.532 ± 0.004°
• γ: 90°
• Cell volume: 1019.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes