Information card for entry 7234816

Structure parameters

• Chemical name: 6-(5-Fluoro-2-hydroxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
• Formula: C15 H10 F N3 O4
• Calculated formula: C15 H10 F N3 O4
• Title of publication: A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration
• Authors of publication: Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 59
• Pages of publication: 34567
• a: 23.336 ± 0.003 Å
• b: 6.924 ± 0.0006 Å
• c: 17.2853 ± 0.0018 Å
• α: 90°
• β: 108.798 ± 0.003°
• γ: 90°
• Cell volume: 2644 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No