Information card for entry 2223488

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-3-(4-pyridyl)pyrido[2,3-<i>b</i>]pyrazine
• Formula: C18 H11 F N4
• Calculated formula: C18 H11 F N4
• SMILES: c1(nc2ncccc2nc1c1ccc(cc1)F)c1ccncc1
• Title of publication: 2-(4-Fluorophenyl)-3-(4-pyridyl)pyrido[2,3-<i>b</i>]pyrazine
• 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: o2512
• a: 17.222 ± 0.009 Å
• b: 11.2199 ± 0.0012 Å
• c: 7.329 ± 0.004 Å
• α: 90°
• β: 91.8 ± 0.03°
• γ: 90°
• Cell volume: 1415.5 ± 1.1 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: 0.0539
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes