Information card for entry 2220828

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)- 3-<i>p</i>-tolylpropanamide
• Formula: C20 H25 N3 O3
• Calculated formula: C20 H25 N3 O3
• SMILES: Oc1nc[nH]c(=O)c1C(CC(=O)NC1CCCCC1)c1ccc(cc1)C
• Title of publication: <i>N</i>-Cyclohexyl-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-3-<i>p</i>-tolylpropanamide
• Authors of publication: Wang, Xing-Han; Hao, Wen-Juan; Tu, Shu-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o309
• a: 7.1563 ± 0.0012 Å
• b: 19.637 ± 0.002 Å
• c: 13.2746 ± 0.0018 Å
• α: 90°
• β: 101.74 ± 0.002°
• γ: 90°
• Cell volume: 1826.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes