Information card for entry 7242230
| Formula |
C21 H18 N2 O3 |
| Calculated formula |
C21 H18 N2 O3 |
| SMILES |
C1(=O)NC(C(=C(C)N1)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 |
25.515 ± 0.005 Å |
| b |
7.71 ± 0.003 Å |
| c |
18.24 ± 0.004 Å |
| α |
90° |
| β |
108.277 ± 0.017° |
| γ |
90° |
| Cell volume |
3407.2 ± 1.7 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 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 |
0.0894 |
| Residual factor for significantly intense reflections |
0.0637 |
| Weighted residual factors for significantly intense reflections |
0.132 |
| Weighted residual factors for all reflections included in the refinement |
0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.101 |
| 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/7242230.html
