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Information card for entry 2008565
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| Coordinates | 2008565.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-Methoxybenzaldehyde-(pentafluorophenylmethylidene)hydrazone |
|---|---|
| Formula | C15 H9 F5 N2 O |
| Calculated formula | C15 H9 F5 N2 O |
| SMILES | COc1ccc(cc1)/C=N/N=C/c1c(F)c(F)c(c(c1F)F)F |
| Title of publication | 4-Methoxybenzaldehyde pentafluorophenylmethylidenehydrazone |
| Authors of publication | Lewis, Michael; Barnes, Charles L.; Hathaway, Bruce A.; Glaser, Rainer |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 975 - 978 |
| a | 6.8822 ± 0.0008 Å |
| b | 8.9557 ± 0.001 Å |
| c | 11.0364 ± 0.0012 Å |
| α | 98.765 ± 0.002° |
| β | 92.365 ± 0.002° |
| γ | 98.66 ± 0.002° |
| Cell volume | 663.18 ± 0.13 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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