Information card for entry 2231747
| Chemical name |
2-Oxo-4-(thiophen-2-yl)-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3- carbonitrile |
| Formula |
C18 H12 N2 O S |
| Calculated formula |
C17.991 H12 N2 O S0.997 |
| Title of publication |
2-Oxo-4-(thiophen-2-yl)-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile |
| Authors of publication |
Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2011 |
| Journal volume |
67 |
| Journal issue |
9 |
| Pages of publication |
o2472 |
| a |
6.9952 ± 0.0003 Å |
| b |
9.1809 ± 0.0004 Å |
| c |
11.1837 ± 0.0005 Å |
| α |
93.99 ± 0.004° |
| β |
95.293 ± 0.004° |
| γ |
100.903 ± 0.004° |
| Cell volume |
699.48 ± 0.05 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 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 |
0.0364 |
| Residual factor for significantly intense reflections |
0.035 |
| Weighted residual factors for significantly intense reflections |
0.0964 |
| Weighted residual factors for all reflections included in the refinement |
0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.067 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2231747.html
