Information card for entry 2203202

Structure parameters

• Chemical name: 4-amino-2,6-dichloro-5-nitropyrimidine
• Formula: C4 H2 Cl2 N4 O2
• Calculated formula: C4 H2 Cl2 N4 O2
• SMILES: Clc1nc(Cl)c(N(=O)=O)c(n1)N
• Title of publication: 4-Amino-2,6-dichloro-5-nitropyrimidine
• Authors of publication: Declan McKeveney; Ronald J. Quinn; Christian O. Janssen; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o241 - o243
• a: 17.667 ± 0.003 Å
• b: 6.708 ± 0.002 Å
• c: 14.425 ± 0.003 Å
• α: 90°
• β: 116.608 ± 0.015°
• γ: 90°
• Cell volume: 1528.5 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes