Information card for entry 3500106

Structure parameters

• Common name: 4-chloro-2,6-dimethoxypyrimidine
• Chemical name: 4-chloro-2,6-dimethoxypyrimidine
• Formula: C6 H7 Cl N2 O2
• Calculated formula: C6 H7 Cl N2 O2
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 13.214 ± 0.0006 Å
• b: 6.5266 ± 0.0003 Å
• c: 8.6159 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 743.06 ± 0.06 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes