Information card for entry 7251893

Structure parameters

• Chemical name: Favipiravir Theophylline Cocrystal Form I
• 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: 13.346 ± 0.013 Å
• b: 7.489 ± 0.006 Å
• c: 14.808 ± 0.013 Å
• α: 90°
• β: 107.83 ± 0.02°
• γ: 90°
• Cell volume: 1409 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1697
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No