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Information card for entry 1551659
Preview
| Coordinates | 1551659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N4 O4 S |
|---|---|
| Calculated formula | C19 H18 N4 O4 S |
| SMILES | S(=O)(=O)(Nc1cc(on1)C)c1ccc(cc1)N.Oc1c2ncccc2ccc1 |
| Title of publication | The Crystal Structure of Entrapped 8-Hydroxyquinoline Molecules in an Interleaved Hydrogen Bonded Zigzag Channel of Sulfamethoxazole Molecules |
| Authors of publication | Marfo-OWUSU, Emmanuel; THOMPSON, Amber L. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 51 |
| a | 6.7665 ± 0.0001 Å |
| b | 14.7037 ± 0.0002 Å |
| c | 18.1671 ± 0.0003 Å |
| α | 90° |
| β | 91.933 ± 0.0008° |
| γ | 90° |
| Cell volume | 1806.46 ± 0.05 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for all reflections | 0.094 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9855 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216270 (current) | 2019-06-20 | cif/ Adding structures of 1551659 via cif-deposit CGI script. |
1551659.cif |
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Users of the data should acknowledge the original authors of the
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