Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242484
Preview
| Coordinates | 2242484.cif |
|---|---|
| Structure factors | 2242484.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol |
|---|---|
| Formula | C20 H18 N2 O2 |
| Calculated formula | C20 H18 N2 O2 |
| SMILES | Oc1c(/C=N/c2ccccc2N)ccc(OCc2ccccc2)c1 |
| Title of publication | (<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one |
| Authors of publication | Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 5 |
| Pages of publication | 737 - 742 |
| a | 35.1343 ± 0.0012 Å |
| b | 7.2564 ± 0.0002 Å |
| c | 13.145 ± 0.0005 Å |
| α | 90° |
| β | 95.553 ± 0.002° |
| γ | 90° |
| Cell volume | 3335.57 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1267 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207567 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 2242484, 2242485 via cif-deposit CGI script. |
2242484.cif 2242484.hkl |
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.