Information card for entry 2232267

Structure parameters

• Chemical name: 2-Diethylamino-6-methylpyrimidin-4(3<i>H</i>)-one
• Formula: C9 H15 N3 O
• Calculated formula: C9 H15 N3 O
• SMILES: O=c1[nH]c(nc(c1)C)N(CC)CC
• Title of publication: 2-Diethylamino-6-methylpyrimidin-4(3<i>H</i>)-one
• Authors of publication: Wang, Mei-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2904
• a: 11.799 ± 0.005 Å
• b: 12.136 ± 0.005 Å
• c: 15.023 ± 0.005 Å
• α: 92.753 ± 0.005°
• β: 94.538 ± 0.006°
• γ: 112.103 ± 0.005°
• Cell volume: 1979.8 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes