Information card for entry 2240767
| Chemical name |
1-[(6-Chloropyridin-3-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline |
| Formula |
C14 H13 Cl N2 O2 S |
| Calculated formula |
C14 H13 Cl N2 O2 S |
| SMILES |
S(=O)(=O)(N1c2ccccc2CCC1)c1ccc(nc1)Cl |
| Title of publication |
Crystal structure of 1-[(6-chloropyridin-3-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline |
| Authors of publication |
Jeyaseelan, S.; Rajegowda, H. R.; Britto Dominic Rayan, R.; Raghavendra Kumar, P.; Palakshamurthy, B. S. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2015 |
| Journal volume |
71 |
| Journal issue |
6 |
| Pages of publication |
660 - 662 |
| a |
6.5661 ± 0.001 Å |
| b |
10.2595 ± 0.0018 Å |
| c |
11.349 ± 0.0019 Å |
| α |
69.101 ± 0.007° |
| β |
88.219 ± 0.007° |
| γ |
77.238 ± 0.007° |
| Cell volume |
695.6 ± 0.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 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 |
0.0625 |
| Residual factor for significantly intense reflections |
0.0502 |
| Weighted residual factors for significantly intense reflections |
0.1373 |
| Weighted residual factors for all reflections included in the refinement |
0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.088 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2240767.html
