Information card for entry 7250118

Structure parameters

• Chemical name: FYX-H2SO4 II
• Formula: C13 H10 N6 O4 S
• Calculated formula: C13 H10 N6 O4 S
• 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: 12.6047 ± 0.0013 Å
• b: 25.471 ± 0.003 Å
• c: 4.4874 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1440.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No