Information card for entry 2209135

Structure parameters

• Chemical name: [(5-Fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]acetic acid‒4,4'-bipyridine (2/1)
• Formula: C26 H24 F2 N8 O10
• Calculated formula: C26 H24 F2 N8 O10
• SMILES: C1=C(F)C(=O)NC(=O)N1CC(=O)NCC(=O)O.n1ccc(cc1)c1ccncc1.C(=O)(CNC(=O)CN1C(=O)NC(=O)C(=C1)F)O
• Title of publication: [(5-Fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]acetic acid‒4,4'-bipyridine (2/1)
• Authors of publication: Jing Xiong; Mao-Lin Hu; Yun-Jun Lan; Shu-Fen Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2371 - o2373
• a: 31.969 ± 0.002 Å
• b: 11.264 ± 0.009 Å
• c: 7.863 ± 0.006 Å
• α: 90°
• β: 96.071 ± 0.002°
• γ: 90°
• Cell volume: 2816 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes