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Information card for entry 7241432
Preview
| Coordinates | 7241432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H13 N3 O3 |
|---|---|
| Calculated formula | C14 H13 N3 O3 |
| SMILES | Oc1c(O)cccc1/C=N/NC(=O)c1ccc(N)cc1 |
| 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 | 24.7095 ± 0.0014 Å |
| b | 10.1996 ± 0.0007 Å |
| c | 20.762 ± 0.0014 Å |
| α | 90° |
| β | 99.252 ± 0.005° |
| γ | 90° |
| Cell volume | 5164.5 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.1312 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1427 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| 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. |
7241432.cif |
| 258508 | 2020-10-21 | cif/ Adding structures of 7241424, 7241425, 7241426, 7241427, 7241428, 7241429, 7241430, 7241431, 7241432 via cif-deposit CGI script. |
7241432.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.