Information card for entry 7061906

Structure parameters

• Chemical name: Ethyl-6-fluoro-3-hydroxypyrazine-2-carboxylate
• Formula: C7 H7 F N2 O3
• Calculated formula: C7 H7 F N2 O3
• SMILES: Fc1nc(c(O)nc1)C(=O)OCC
• Title of publication: A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour
• Authors of publication: Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 18824 - 18831
• a: 20.262 ± 0.0005 Å
• b: 4.7248 ± 0.0001 Å
• c: 16.6253 ± 0.0004 Å
• α: 90°
• β: 90.48 ± 0.002°
• γ: 90°
• Cell volume: 1591.55 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0401
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No