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Information card for entry 1543369
Preview
| Coordinates | 1543369.cif |
|---|---|
| Structure factors | 1543369.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate |
|---|---|
| Formula | C15 H13 F3 N2 O3 |
| Calculated formula | C15 H13 F3 N2 O3 |
| SMILES | O(C)c1ccc(C(=O)N/N=C/c2cc(F)c(F)cc2F)cc1.O |
| Title of publication | (<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trifluorobenzylidene)benzohydrazide monohydrate |
| Authors of publication | Maheswari, R.; Manjula, J.; Gunasekaran, B.; Bakiyaraj, G. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160846 |
| a | 6.6872 ± 0.0002 Å |
| b | 7.9309 ± 0.0002 Å |
| c | 13.9723 ± 0.0004 Å |
| α | 82.348 ± 0.002° |
| β | 84.783 ± 0.001° |
| γ | 88.71 ± 0.001° |
| Cell volume | 731.35 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183132 (current) | 2016-05-28 | cif/ hkl/ Adding structures of 1543369 via cif-deposit CGI script. |
1543369.cif 1543369.hkl |
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Users of the data should acknowledge the original authors of the
structural data.