Information card for entry 7225948
| Formula |
C12 H11 Br Cl F3 N2 |
| Calculated formula |
C12 H11 Br Cl F3 N2 |
| SMILES |
[Br-].Clc1cc(C(F)(F)F)cn2cc([n+](CC=C)c12)C |
| Title of publication |
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions |
| Authors of publication |
Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. |
| Journal of publication |
Green Chem. |
| Year of publication |
2016 |
| Journal volume |
18 |
| Journal issue |
17 |
| Pages of publication |
4623 |
| a |
11.0563 ± 0.0012 Å |
| b |
11.1805 ± 0.0012 Å |
| c |
12.0711 ± 0.0012 Å |
| α |
98.874 ± 0.009° |
| β |
103.353 ± 0.009° |
| γ |
103.781 ± 0.009° |
| Cell volume |
1375 ± 0.3 Å3 |
| Cell temperature |
120 ± 0.11 K |
| Ambient diffraction temperature |
120 ± 0.11 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1488 |
| Residual factor for significantly intense reflections |
0.0758 |
| Weighted residual factors for significantly intense reflections |
0.1163 |
| Weighted residual factors for all reflections included in the refinement |
0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| 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/7225948.html
