Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559405
Preview
| Coordinates | 1559405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (E)-4-Hydroxybenzaldehyde Oxime |
|---|---|
| Formula | C7 H7 N O2 |
| Calculated formula | C7 H7 N O2 |
| SMILES | O/N=C/c1ccc(O)cc1 |
| Title of publication | Crystallizations and Crystal Structure at 122 K of Anhydrous (E)-4-Hydroxybenzaldehyde Oxime |
| Authors of publication | Jerslev, Bodil; Larsen, Sine |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 1195 - 1199 |
| a | 6.806 ± 0.002 Å |
| b | 6.0157 ± 0.0012 Å |
| c | 15.744 ± 0.003 Å |
| α | 90° |
| β | 94.82 ± 0.02° |
| γ | 90° |
| Cell volume | 642.3 ± 0.3 Å3 |
| Ambient diffraction temperature | 122 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258578 (current) | 2020-10-23 | cif/ Adding structures of 1559405 via cif-deposit CGI script. |
1559405.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.