Information card for entry 2009775

Structure parameters

• Chemical name: 3-p-methylanilino-1,2,4-trifluoro-7-methylacridine
• Formula: C21 H15 F3 N2
• Calculated formula: C21 H15 F3 N2
• SMILES: Cc1ccc(cc1)Nc1c(F)c(F)c2c(c1F)nc1c(c2)cc(cc1)C
• Title of publication: <i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pentafluorobenzaldehyde with <i>para</i>-substituted anilines
• Authors of publication: Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 967 - 971
• a: 5.871 ± 0.004 Å
• b: 7.889 ± 0.003 Å
• c: 34.83 ± 0.009 Å
• α: 90°
• β: 91.23 ± 0.04°
• γ: 90°
• Cell volume: 1612.8 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.0662
• Goodness-of-fit parameter for significantly intense reflections: 4.253
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No