Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106241
Preview
| Coordinates | 8106241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 N3 O3 |
|---|---|
| Calculated formula | C18 H21 N3 O3 |
| SMILES | O(/N=C/c1ccc(N(C)C)cc1)CCO/N=C/c1c(O)cccc1 |
| Title of publication | Crystal structure of (E)-2-hydroxybenzaldehyde O-(2-(((E)-(4-(dimethylamino)benzylidene)amino)oxy)ethyl)oxime, C18H21N3O3 |
| Authors of publication | Peng, Yun-Dong; Zhang, Yang; Ren, Zong-Li; Wang, Li; Dong, Wen-Kui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 635 - 636 |
| a | 5.3025 ± 0.0003 Å |
| b | 9.7824 ± 0.0007 Å |
| c | 33.3847 ± 0.0019 Å |
| α | 90° |
| β | 93.699 ± 0.006° |
| γ | 90° |
| Cell volume | 1728.1 ± 0.19 Å3 |
| Cell temperature | 290.7 ± 0.3 K |
| Ambient diffraction temperature | 290.7 ± 0.3 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 | 0.1229 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279540 (current) | 2022-11-24 | cif/ Adding structures of 8106241 via cif-deposit CGI script. |
8106241.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.