Information card for entry 7250117

Structure parameters

• Chemical name: FYX I
• Formula: C13 H8 N6
• Calculated formula: C13 H8 N6
• Title of publication: Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance
• Authors of publication: Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 2534 - 2544
• a: 3.8498 ± 0.0012 Å
• b: 12.368 ± 0.003 Å
• c: 12.116 ± 0.004 Å
• α: 90°
• β: 96.377 ± 0.013°
• γ: 90°
• Cell volume: 573.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No