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Information card for entry 2244176
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| Coordinates | 2244176.cif |
|---|---|
| Structure factors | 2244176.hkl |
| Original IUCr paper | HTML |
| Chemical name | Benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate |
|---|---|
| Formula | C15 H14 N2 O3 |
| Calculated formula | C15 H14 N2 O3 |
| SMILES | Oc1c(cccc1)/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 | 4.5017 ± 0.0012 Å |
| b | 14.047 ± 0.004 Å |
| c | 10.567 ± 0.003 Å |
| α | 90° |
| β | 96.3 ± 0.015° |
| γ | 90° |
| Cell volume | 664.2 ± 0.3 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
2244176.cif 2244176.hkl |
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Users of the data should acknowledge the original authors of the
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