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Information card for entry 2244177
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| Coordinates | 2244177.cif |
|---|---|
| Structure factors | 2244177.hkl |
| Original IUCr paper | HTML |
| Chemical name | Benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate |
|---|---|
| Formula | C15 H13 Br N2 O3 |
| Calculated formula | C15 H13 Br N2 O3 |
| SMILES | Brc1ccc(O)c(c1)/C=N/NC(=O)OCc1ccccc1 |
| Title of publication | Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate |
| Authors of publication | Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 10 |
| a | 27.904 ± 0.002 Å |
| b | 11.1207 ± 0.0006 Å |
| c | 9.0648 ± 0.0007 Å |
| α | 90° |
| β | 94.485 ± 0.002° |
| γ | 90° |
| Cell volume | 2804.3 ± 0.3 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278104 (current) | 2022-09-23 | cif/ hkl/ Adding structures of 2244176, 2244177 via cif-deposit CGI script. |
2244177.cif 2244177.hkl |
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Users of the data should acknowledge the original authors of the
structural data.