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Information card for entry 1548791
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| Coordinates | 1548791.cif |
|---|---|
| Structure factors | 1548791.hkl |
| Original IUCr paper | HTML |
| Common name | (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol |
|---|---|
| Formula | C19 H14 Br F N2 O |
| Calculated formula | C19 H14 Br F N2 O |
| SMILES | Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)cc1F |
| Title of publication | (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol |
| Authors of publication | Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | x171708 |
| a | 13.4521 ± 0.0015 Å |
| b | 7.181 ± 0.0007 Å |
| c | 34.204 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3304.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1458 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205736 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 1548791 via cif-deposit CGI script. |
1548791.cif 1548791.hkl |
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Users of the data should acknowledge the original authors of the
structural data.