Information card for entry 7157917
| Formula |
C9 H16 Cl N3 O3 |
| Calculated formula |
C9 H16 Cl N3 O3 |
| Title of publication |
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles. |
| Authors of publication |
Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2021 |
| Journal volume |
19 |
| Journal issue |
12 |
| Pages of publication |
2784 - 2793 |
| a |
6.7656 ± 0.0002 Å |
| b |
9.4132 ± 0.0002 Å |
| c |
10.2539 ± 0.0002 Å |
| α |
108.309 ± 0.0011° |
| β |
96.718 ± 0.0011° |
| γ |
102.189 ± 0.001° |
| Cell volume |
594.05 ± 0.03 Å3 |
| Cell temperature |
170 ± 0.1 K |
| Ambient diffraction temperature |
170 ± 0.1 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0497 |
| Residual factor for significantly intense reflections |
0.0404 |
| Weighted residual factors for significantly intense reflections |
0.0979 |
| Weighted residual factors for all reflections included in the refinement |
0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7157917.html
