Information card for entry 2204798

Structure parameters

• Common name: 6-Isopropoxy-5-isopropyl-1H-pyrimidine-2,4-dione
• Chemical name: 6-Isopropoxy-5-isopropylpyrimidine-2,4(1H,3H)-dione
• Formula: C10 H16 N2 O3
• Calculated formula: C10 H16 N2 O3
• SMILES: N1C(=O)NC(=O)C(=C1OC(C)C)C(C)C
• Title of publication: 6-Isopropoxy-5-isopropylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Lewis, William; McKeown, Robert H.; Robinson, Ward T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2429 - o2431
• a: 8.769 ± 0.006 Å
• b: 11.178 ± 0.008 Å
• c: 12.418 ± 0.009 Å
• α: 71.074 ± 0.009°
• β: 77.684 ± 0.009°
• γ: 88.014 ± 0.009°
• Cell volume: 1124.1 ± 1.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.1251
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes