Information card for entry 2209926

Structure parameters

• Chemical name: 4-amino-6-(2,2-diethoxyethoxy)-2-(methylsulfanyl)pyrimidine
• Formula: C11 H19 N3 O3 S
• Calculated formula: C11 H19 N3 O3 S
• Title of publication: 4-Amino-6-(2,2-diethoxyethoxy)-2-(methylsulfanyl)pyrimidine
• Authors of publication: Quijano, Maria Luisa; Cobo, Justo; Nogueras, Manuel; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3142 - o3144
• a: 7.228 ± 0.0008 Å
• b: 9.636 ± 0.0009 Å
• c: 10.085 ± 0.001 Å
• α: 81.197 ± 0.009°
• β: 82.39 ± 0.007°
• γ: 78.817 ± 0.008°
• Cell volume: 677.12 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2411
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.2526
• 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