Information card for entry 2004338

Structure parameters

• Chemical name: 2-amino-4,5-dicarbomethoxy-6-methoxypyridine
• Formula: C10 H12 N2 O5
• Calculated formula: C10 H12 N2 O5
• SMILES: n1c(N)cc(C(=O)OC)c(C(=O)OC)c1OC
• Title of publication: 2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine
• Authors of publication: Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 143 - 145
• a: 7.2245 ± 0.0015 Å
• b: 8.7974 ± 0.0013 Å
• c: 9.181 ± 0.002 Å
• α: 81.627 ± 0.013°
• β: 80.521 ± 0.013°
• γ: 76.58 ± 0.015°
• Cell volume: 556.31 ± 0.19 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1408
• Weighted residual factors for significantly intense reflections: 0.1335
• Goodness-of-fit parameter for all reflections: 1.127
• Goodness-of-fit parameter for significantly intense reflections: 1.246
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No