Information card for entry 2221940

Structure parameters

• Chemical name: 4-[3-(4-Fluorophenyl)quinoxalin-2-yl]-<i>N</i>-isopropylpyridin-2-amine
• Formula: C22 H19 F N4
• Calculated formula: C22 H19 F N4
• SMILES: Fc1ccc(c2c(nc3c(n2)cccc3)c2ccnc(c2)NC(C)C)cc1
• Title of publication: 4-[3-(4-Fluorophenyl)quinoxalin-2-yl]-<i>N</i>-isopropylpyridin-2-amine
• 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: 6
• Pages of publication: o1344
• a: 17.23 ± 0.009 Å
• b: 5.386 ± 0.003 Å
• c: 19.123 ± 0.01 Å
• α: 90°
• β: 96.114 ± 0.013°
• γ: 90°
• Cell volume: 1764.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2324
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes