Information card for entry 1549664
| Chemical name |
4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one |
| Formula |
C21 H24 N2 O S |
| Calculated formula |
C21 H24 N2 O S |
| SMILES |
S(C1=NC(C(=O)N1CCC)(c1ccccc1)c1ccccc1)CCC |
| Title of publication |
4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one |
| Authors of publication |
Akrad, Rachida; Guerrab, Walid; Lazrak, Fatima; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef |
| Journal of publication |
IUCrData |
| Year of publication |
2018 |
| Journal volume |
3 |
| Journal issue |
7 |
| Pages of publication |
x180934 |
| a |
14.898 ± 0.002 Å |
| b |
14.878 ± 0.002 Å |
| c |
8.4007 ± 0.0013 Å |
| α |
90° |
| β |
96.78 ± 0.002° |
| γ |
90° |
| Cell volume |
1849 ± 0.5 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
5 |
| 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 |
0.0502 |
| Residual factor for significantly intense reflections |
0.041 |
| Weighted residual factors for significantly intense reflections |
0.1098 |
| Weighted residual factors for all reflections included in the refinement |
0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1549664.html
