Information card for entry 2005904
| Chemical name |
1,2-diphenyl-3-benzyl-guanidine hydrochloride |
| Formula |
C20 H20 Cl N3 |
| Calculated formula |
C20 H20 Cl N3 |
| SMILES |
[Cl-].c1(ccccc1)[NH+]=C(Nc1ccccc1)NCc1ccccc1 |
| Title of publication |
1,2-Diphenyl-3-benzylguanidine Hydrochloride |
| Authors of publication |
Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1997 |
| Journal volume |
53 |
| Journal issue |
1 |
| Pages of publication |
86 - 88 |
| a |
7.9656 ± 0.0011 Å |
| b |
9.7996 ± 0.001 Å |
| c |
12.036 ± 0.002 Å |
| α |
86.45 ± 0.02° |
| β |
80.28 ± 0.02° |
| γ |
77.45 ± 0.02° |
| Cell volume |
903.6 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0366 |
| Residual factor for significantly intense reflections |
0.0353 |
| Weighted residual factors for all reflections |
0.0929 |
| Weighted residual factors for significantly intense reflections |
0.0922 |
| Goodness-of-fit parameter for all reflections |
1.078 |
| Goodness-of-fit parameter for significantly intense reflections |
1.101 |
| Diffraction radiation wavelength |
1.54176 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2005904.html
