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Information card for entry 2238874
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| Coordinates | 2238874.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate |
|---|---|
| Formula | C15 H15 Br N2 O4 |
| Calculated formula | C15 H15 Br N2 O4 |
| SMILES | COc1cc(Br)cc(c1O)/C=N/NC(=O)c1ccccc1.O |
| Title of publication | <i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate |
| Authors of publication | Emmanuel, Jessy; Sithambaresan, M.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1775 - o1776 |
| a | 4.7223 ± 0.0005 Å |
| b | 13.9357 ± 0.0017 Å |
| c | 23.028 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1515.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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