Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558964
Preview
| Coordinates | 1558964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-[N-Morpholino]ethane Sulfonic Acid Hydrate |
|---|---|
| Formula | C6 H15 N O5 S |
| Calculated formula | C6 H15 N O5 S |
| SMILES | S(=O)(=O)([O-])CC.O(CC)CC.[NH4+].O |
| Title of publication | Crystal Structure of 2-[N-Morpholino]ethane Sulfonic Acid Hydrate, C6H15NO5S |
| Authors of publication | Christensen, A. Norlund; Hazell, R. G.; Lehmann, M. S.; Nielsen, M. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 753 - 756 |
| a | 8.632 ± 0.004 Å |
| b | 9.985 ± 0.006 Å |
| c | 11.15 ± 0.006 Å |
| α | 90° |
| β | 93.77 ± 0.03° |
| γ | 90° |
| Cell volume | 958.9 ± 0.9 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255824 (current) | 2020-09-03 | cif/ Adding structures of 1558964 via cif-deposit CGI script. |
1558964.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.