Information card for entry 7134949

Structure parameters

• Common name: 5-fluorouracil isoniazid
• Chemical name: 2,4-dihydroxy-5-fluoropyrimidine 4-pyridinecarboxylic acid hydrazide
• Formula: C14 H13 F2 N7 O5
• Calculated formula: C14 H13 F2 N7 O5
• Title of publication: The whole is greater than the sum of its parts: binary and ternary 5-fluorouracil co-crystals with enhanced selectivity towards metastatic cancer cells.
• Authors of publication: Grabowski, Szymon; Wojdyła-Parat, Julianna; Tyszka-Czochara, Małgorzata; Kozieł, Marcin; Chmylak, Michał; Lalik, Sebastian; Gryl, Marlena
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 86
• Pages of publication: 16770 - 16773
• a: 38.4123 ± 0.001 Å
• b: 3.6758 ± 0.0001 Å
• c: 23.4287 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3308.04 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No