Information card for entry 7219043
| Chemical name |
6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine |
| Formula |
C16 H13 N5 |
| Calculated formula |
C16 H13 N5 |
| SMILES |
n1cccc2NC(Nc3c(nccc3)c12)c1ncccc1 |
| Title of publication |
Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography |
| Authors of publication |
Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie |
| Journal of publication |
CrystEngComm |
| Year of publication |
2015 |
| Journal volume |
17 |
| Journal issue |
5 |
| Pages of publication |
1159 |
| a |
9.802 ± 0.0015 Å |
| b |
11.0335 ± 0.0017 Å |
| c |
12.7221 ± 0.0015 Å |
| α |
87.172 ± 0.007° |
| β |
84.52 ± 0.007° |
| γ |
85.678 ± 0.007° |
| Cell volume |
1364.5 ± 0.3 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.128 |
| Residual factor for significantly intense reflections |
0.0559 |
| Weighted residual factors for significantly intense reflections |
0.1008 |
| Weighted residual factors for all reflections included in the refinement |
0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.986 |
| Diffraction radiation wavelength |
0.71073 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/7219043.html
