Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239978
Preview
| Coordinates | 7239978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H12 N3 O1.5 |
|---|---|
| Calculated formula | C11 H12 N3 O1.5 |
| SMILES | Oc1c(/N=C/c2nccn2C)cccc1.O |
| Title of publication | Self-assembled supramolecular structures of O,N,N′ tridentate imidazole–phenol Schiff base compounds |
| Authors of publication | Barry, Kristy-Lyn; Grimmer, Craig D.; Munro, Orde Q.; Akerman, Matthew P. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 13 |
| Pages of publication | 7867 - 7878 |
| a | 22.5522 ± 0.0016 Å |
| b | 7.1022 ± 0.0005 Å |
| c | 13.462 ± 0.0009 Å |
| α | 90° |
| β | 110.4 ± 0.003° |
| γ | 90° |
| Cell volume | 2021 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239978.cif |
| 298703 | 2025-04-03 | cif/7: Fixing Z values and formulae |
7239978.cif |
| 258087 | 2020-10-06 | cif/ Updating files of 7239975, 7239976, 7239977, 7239978 Original log message: Adding full bibliography for 7239975--7239978.cif. |
7239978.cif |
| 248432 | 2020-02-25 | cif/ Adding structures of 7239975, 7239976, 7239977, 7239978 via cif-deposit CGI script. |
7239978.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.