Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241429
Preview
| Coordinates | 7241429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H17 N3 O4 |
|---|---|
| Calculated formula | C15 H17 N3 O4 |
| SMILES | Oc1c(/C=N/NC(=O)c2ccc(N)cc2)ccc(O)c1.OC |
| Title of publication | Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach |
| Authors of publication | Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 63 |
| Pages of publication | 38566 - 38577 |
| a | 9.788 ± 0.002 Å |
| b | 8.4727 ± 0.001 Å |
| c | 18.273 ± 0.003 Å |
| α | 90° |
| β | 103.86 ± 0.02° |
| γ | 90° |
| Cell volume | 1471.3 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 all reflections | 0.1854 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241429.cif |
| 258508 | 2020-10-21 | cif/ Adding structures of 7241424, 7241425, 7241426, 7241427, 7241428, 7241429, 7241430, 7241431, 7241432 via cif-deposit CGI script. |
7241429.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.