Information card for entry 2216442

Structure parameters

• Chemical name: 2-Amino-6-ethoxy-4-methylpyridine-3,5-dicarbonitrile
• Formula: C10 H10 N4 O
• Calculated formula: C10 H10 N4 O
• SMILES: CCOc1nc(N)c(c(c1C#N)C)C#N
• Title of publication: 2-Amino-6-ethoxy-4-methylpyridine-3,5-dicarbonitrile
• Authors of publication: Constantin Mamat; Axel Schulz; Alexander Villinger
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4936 - o4936
• a: 5.505 ± 0.0011 Å
• b: 7.35 ± 0.0015 Å
• c: 12.385 ± 0.003 Å
• α: 86.27 ± 0.03°
• β: 81.33 ± 0.03°
• γ: 84.19 ± 0.03°
• Cell volume: 492.22 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0465
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes