Information card for entry 2009772

Structure parameters

• Chemical name: N-(pentafluorobenzylidine)-p-methylaniline
• Formula: C14 H8 F5 N
• Calculated formula: C14 H8 F5 N
• SMILES: Cc1ccc(cc1)/N=C/c1c(F)c(F)c(c(c1F)F)F
• 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: 7.437 ± 0.003 Å
• b: 13.176 ± 0.004 Å
• c: 6.21 ± 0.002 Å
• α: 92 ± 0.03°
• β: 96.9 ± 0.03°
• γ: 91.76 ± 0.03°
• Cell volume: 603.4 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0461
• Goodness-of-fit parameter for significantly intense reflections: 1.75
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No