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Information card for entry 2240767
Preview
| Coordinates | 2240767.cif |
|---|---|
| Structure factors | 2240767.hkl |
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240767.cif 2240767.hkl |
| 137300 | 2015-05-24 | cif/ hkl/ Adding structures of 2240767 via cif-deposit CGI script. |
2240767.cif 2240767.hkl |
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Users of the data should acknowledge the original authors of the
structural data.