Information card for entry 2207775

Structure parameters

• Common name: 5-aminopyrimidine
• Chemical name: 5-Aminopyrimidine
• Formula: C4 H5 N3
• Calculated formula: C4 H5 N3
• SMILES: c1ncc(N)cn1
• Title of publication: 5-Aminopyrimidine
• Authors of publication: Schlueter, John A.; Funk, Russell J.; Geiser, Urs
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o339 - o341
• a: 7.5982 ± 0.001 Å
• b: 10.1226 ± 0.0013 Å
• c: 6.8106 ± 0.001 Å
• α: 90°
• β: 118.596 ± 0.005°
• γ: 90°
• Cell volume: 459.93 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes