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Information card for entry 2206836
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| Coordinates | 2206836.cif |
|---|---|
| Structure factors | 2206836.hkl |
| Original IUCr paper | HTML |
| Chemical name | N'-[(E)-4-(2-Hydroxyethoxy)-3-methoxybenzylidene]benzohydrazide monohydrate |
|---|---|
| Formula | C17 H20 N2 O5 |
| Calculated formula | C17 H20 N2 O5 |
| SMILES | OCCOc1c(OC)cc(cc1)/C=N/NC(=O)c1ccccc1.O |
| Title of publication | <i>N</i>'-[(<i>E</i>)-4-(2-Hydroxyethoxy)-3-methoxybenzylidene]benzohydrazide monohydrate |
| Authors of publication | Chun-Hua Diao; Ming Yu; Xin Chen; Zuo-Liang Jing; Qi-Liang Deng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3500 - o3501 |
| a | 9.924 ± 0.002 Å |
| b | 11.936 ± 0.003 Å |
| c | 14.89 ± 0.004 Å |
| α | 90° |
| β | 104.003 ± 0.004° |
| γ | 90° |
| Cell volume | 1711.3 ± 0.7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0893 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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