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Information card for entry 7242229
Preview
| Coordinates | 7242229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H16 N2 O3 |
|---|---|
| Calculated formula | C21 H16 N2 O3 |
| SMILES | c1(=O)nc(c(c(C)[nH]1)C(=O)OC)c1cc2ccccc2c2ccccc12 |
| Title of publication | Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products |
| Authors of publication | Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 6312 - 6329 |
| a | 9.918 ± 0.002 Å |
| b | 13.013 ± 0.003 Å |
| c | 12.963 ± 0.0018 Å |
| α | 90° |
| β | 91.984 ± 0.018° |
| γ | 90° |
| Cell volume | 1672 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.1932 |
| Residual factor for significantly intense reflections | 0.1089 |
| Weighted residual factors for significantly intense reflections | 0.1743 |
| Weighted residual factors for all reflections included in the refinement | 0.2282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.7107 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. |
7242229.cif |
| 261515 | 2021-02-04 | cif/ Adding structures of 7242228, 7242229, 7242230, 7242231, 7242232 via cif-deposit CGI script. |
7242229.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.