Information card for entry 2010333

Structure parameters

• Formula: C13 H14 N4 O
• Calculated formula: C13 H14 N4 O
• SMILES: Cc1ncc(nc1)C(=O)Nc1cc(C)cc(n1)C
• Title of publication: <i>N</i>-(4,6-Diméthylpyrid-2-yl)-5-méthyl-pyrazine-2-carboxamide
• Authors of publication: Rodier, N.; Rideau, O.; Robert,J.-M.; Le Baut, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1960 - 1962
• a: 7.85 ± 0.003 Å
• b: 23.17 ± 0.01 Å
• c: 7.212 ± 0.003 Å
• α: 90°
• β: 110.64 ± 0.03°
• γ: 90°
• Cell volume: 1227.6 ± 0.9 ų
• Cell temperature: 273 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.445
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKᾱ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No