Information card for entry 2005622
| Chemical name |
1,1'-diacetyl-2,2'-biimidazole |
| Formula |
C10 H10 N4 O2 |
| Calculated formula |
C10 H10 N4 O2 |
| SMILES |
CC(=O)n1ccnc1c1nccn1C(=O)C |
| Title of publication |
1,1'-Diacetyl-2,2'-biimidazole |
| Authors of publication |
Secondo, P. M.; Hester, C. A.; Collier, H. L.; Baughman, R. G.; Cordes, A. W. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1996 |
| Journal volume |
52 |
| Journal issue |
11 |
| Pages of publication |
2882 - 2883 |
| a |
11.987 ± 0.002 Å |
| b |
9.7183 ± 0.0015 Å |
| c |
10.2177 ± 0.0012 Å |
| α |
90° |
| β |
119.889 ± 0.009° |
| γ |
90° |
| Cell volume |
1032 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0477 |
| Residual factor for significantly intense reflections |
0.0388 |
| Weighted residual factors for all reflections |
0.1062 |
| Weighted residual factors for significantly intense reflections |
0.0998 |
| Goodness-of-fit parameter for all reflections |
1.058 |
| Goodness-of-fit parameter for significantly intense reflections |
1.1 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2005622.html
