Information card for entry 2012721

Structure parameters

• Chemical name: 2-Amino-4,6-dimethoxypyrimidine
• Formula: C6 H9 N3 O2
• Calculated formula: C6 H9 N3 O2
• SMILES: n1c(N)nc(OC)cc1OC
• Title of publication: Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(<i>N</i>-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer
• Authors of publication: Low, John N.; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o289 - o294
• a: 12.3971 ± 0.0005 Å
• b: 8.3608 ± 0.0005 Å
• c: 14.5237 ± 0.0007 Å
• α: 90°
• β: 106.585 ± 0.003°
• γ: 90°
• Cell volume: 1442.75 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes