Information card for entry 7242229
| 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 |
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The link is:
https://www.crystallography.net/7242229.html
