Information card for entry 7213462

Structure parameters

• Formula: C16 H20 N8 O2
• Calculated formula: C16 H19.822 N8 O2
• Title of publication: Synthesis of novel 5-amino-6-ethoxy-2-alkylpyrimidine-4-carbonitriles
• Authors of publication: Al-Azmi, Amal; Booth, Brian L.; Pritchard, Robin G.; Proença, Fernanda J. R. P.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 485
• a: 8.9484 ± 0.001 Å
• b: 10.087 ± 0.002 Å
• c: 11.163 ± 0.002 Å
• α: 78.86 ± 0.02°
• β: 89.33 ± 0.02°
• γ: 69.04 ± 0.02°
• Cell volume: 921.4 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1416
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections: 0.2497
• Weighted residual factors for significantly intense reflections: 0.1842
• Goodness-of-fit parameter for all reflections: 1.123
• Goodness-of-fit parameter for significantly intense reflections: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No