Information card for entry 2232682

Structure parameters

• Chemical name: <i>N</i>-(2-Fluorophenyl)-5-[(4-methoxyphenyl)aminomethyl]-6-methyl-2- phenylpyrimidin-4-amine
• Formula: C25 H23 F N4 O
• Calculated formula: C25 H23 F N4 O
• SMILES: n1c(c2ccccc2)nc(Nc2c(F)cccc2)c(CNc2ccc(OC)cc2)c1C
• Title of publication: <i>N</i>-(2-Fluorophenyl)-5-[(4-methoxyphenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine
• Authors of publication: Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3162
• a: 27.075 ± 0.011 Å
• b: 8.922 ± 0.004 Å
• c: 22.983 ± 0.01 Å
• α: 90°
• β: 132.22 ± 0.05°
• γ: 90°
• Cell volume: 4112 ± 4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes