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Information card for entry 2009774
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Coordinates | 2009774.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,2,3,4,7-pentafluoroacridine |
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Formula | C13 H4 F5 N |
Calculated formula | C13 H4 F5 N |
SMILES | Fc1ccc2c(c1)cc1c(n2)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 | 8.27 ± 0.005 Å |
b | 10.721 ± 0.005 Å |
c | 5.995 ± 0.002 Å |
α | 102.56 ± 0.03° |
β | 92.6 ± 0.04° |
γ | 83.3 ± 0.03° |
Cell volume | 515.2 ± 0.4 Å3 |
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 | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.0531 |
Goodness-of-fit parameter for significantly intense reflections | 2.145 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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