Information card for entry 2223441

Structure parameters

• Chemical name: <i>N</i>-{4-[3-(4-Fluorophenyl)pyrido[2,3-<i>b</i>]pyrazin-2-yl]- 2-pyridyl}isopropylamine
• Formula: C21 H18 F N5
• Calculated formula: C21 H18 F N5
• SMILES: Fc1ccc(c2c(nc3c(n2)nccc3)c2ccnc(c2)NC(C)C)cc1
• Title of publication: <i>N</i>-{4-[3-(4-Fluorophenyl)pyrido[2,3-<i>b</i>]pyrazin-2-yl]-2-pyridyl}isopropylamine
• Authors of publication: Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2557
• a: 12.042 ± 0.001 Å
• b: 7.6586 ± 0.0002 Å
• c: 20.095 ± 0.002 Å
• α: 90°
• β: 100.215 ± 0.005°
• γ: 90°
• Cell volume: 1823.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes