Information card for entry 8000140

Structure parameters

• Common name: 4NHMe6Opym
• Chemical name: 4-methylamino-6-oxopyrimidine
• Formula: C5 H11 N3 O3
• Calculated formula: C5 H11 N3 O3
• Title of publication: Regulated Formation of 2D Water Layers with Alternating Six-membered Quasi-planar and Chair Cluster Units by 1D Supramolecular Chain
• Authors of publication: Goto, Kenta; Shinmyozu, Teruo
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1100
• a: 4.9585 ± 0.0003 Å
• b: 7.5475 ± 0.0004 Å
• c: 10.443 ± 0.001 Å
• α: 83.622 ± 0.004°
• β: 87.979 ± 0.003°
• γ: 84.641 ± 0.002°
• Cell volume: 386.58 ± 0.05 ų
• Cell 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 significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.834
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No