Information card for entry 7061912

Structure parameters

• Chemical name: Ethyl_3-oxo-4-hydropyrazine-2-carboxylate
• Formula: C14 H18 N4 O7
• Calculated formula: C14 H18 N4 O7
• 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: 20.5834 ± 0.0005 Å
• b: 5.2244 ± 0.0001 Å
• c: 15.7133 ± 0.0004 Å
• α: 90°
• β: 111.662 ± 0.003°
• γ: 90°
• Cell volume: 1570.41 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No