Information card for entry 2221175

Structure parameters

• Chemical name: 6-(2,6-Dimethylphenyl)pyrido[2,3-<i>d</i>]pyrimidin-7-amine
• Formula: C15 H14 N4
• Calculated formula: C15 H14 N4
• SMILES: c1(c(nc2c(cncn2)c1)N)c1c(cccc1C)C
• Title of publication: 6-(2,6-Dimethylphenyl)pyrido[2,3-<i>d</i>]pyrimidin-7-amine
• Authors of publication: Nukui, Seiji; Rheingold, Arnold L.; DiPasquale, Antonio; Yanovsky, Alex
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o591
• a: 16.272 ± 0.003 Å
• b: 10.644 ± 0.002 Å
• c: 15.234 ± 0.003 Å
• α: 90°
• β: 109.118 ± 0.003°
• γ: 90°
• Cell volume: 2493 ± 0.8 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes