Information card for entry 7251894

Structure parameters

• Chemical name: Favipiravir Theophylline Cocrystal Form II
• Formula: C12 H12 F N7 O4
• Calculated formula: C12 H12 F N7 O4
• Title of publication: Synthon-driven polymorphism in the favipiravir–theophylline cocrystal
• Authors of publication: Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 2721 - 2735
• a: 7.228 ± 0.005 Å
• b: 13.95 ± 0.01 Å
• c: 14.273 ± 0.012 Å
• α: 90°
• β: 95.548 ± 0.019°
• γ: 90°
• Cell volume: 1432.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No