Information card for entry 7234817

Structure parameters

• Chemical name: 6-(2-Hydroxy-5-isopropylbenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H) -dione
• Formula: C18 H17 N3 O4
• Calculated formula: C18 H17 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: 8.403 ± 0.0004 Å
• b: 9.6898 ± 0.0004 Å
• c: 10.911 ± 0.0007 Å
• α: 105.87 ± 0.002°
• β: 98.586 ± 0.002°
• γ: 102.351 ± 0.004°
• Cell volume: 814.1 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No