Information card for entry 2005203

Structure parameters

• Chemical name: 6-acetylamino-4-methoxy-2-methylthiopyrimidine
• Formula: C8 H11 N3 O2 S
• Calculated formula: C8 H10 N3 O2 S
• Title of publication: 6-Acetamido-4-methoxy-2-methylthiopyrimidine
• Authors of publication: Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sanchez, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2035 - 2037
• a: 9.685 ± 0.0006 Å
• b: 6.798 ± 0.0007 Å
• c: 15.183 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 999.63 ± 0.14 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.0852
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.0984
• Goodness-of-fit parameter for all reflections: 0.996
• Goodness-of-fit parameter for significantly intense reflections: 1.195
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No