Information card for entry 7061907

Structure parameters

• Chemical name: FAVIPIRAVIR
• Formula: C5 H4 F N3 O2
• Calculated formula: C5 H4 F N3 O2
• SMILES: Fc1nc(c(O)nc1)C(=O)N
• 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: 9.0668 ± 0.0005 Å
• b: 14.8508 ± 0.001 Å
• c: 4.5755 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 616.09 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No