Information card for entry 2226119

Structure parameters

• Chemical name: 5-Iodopyrimidin-2-amine
• Formula: C4 H4 I N3
• Calculated formula: C4 H4 I N3
• SMILES: Ic1cnc(nc1)N
• Title of publication: 5-Iodopyrimidin-2-amine
• Authors of publication: Chiang, Yen-Hsun; Wu, Chia-Jun; Cheng, Pei-Chi; Chen, Jhy-Der
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1464
• a: 7.9088 ± 0.0007 Å
• b: 8.3617 ± 0.001 Å
• c: 18.3821 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes