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Information card for entry 8106584
Preview
| Coordinates | 8106584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H18 Cl2 N2 O2 |
|---|---|
| Calculated formula | C6 H18 Cl2 N2 O2 |
| SMILES | [Cl-].[Cl-].O1CC[NH+](CC[NH3+])CC1.O |
| Title of publication | Crystal structure of 4-(2-ammonioethyl)morpholin-4-ium dichloride monohydrate, C6H18Cl2N2O2 |
| Authors of publication | Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 501 - 502 |
| a | 7.9597 ± 0.0011 Å |
| b | 9.1223 ± 0.0013 Å |
| c | 9.2893 ± 0.0012 Å |
| α | 118.575 ± 0.003° |
| β | 106.507 ± 0.004° |
| γ | 97.12 ± 0.004° |
| Cell volume | 540.21 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0869 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280590 (current) | 2023-01-25 | cif/ Adding structures of 8106584 via cif-deposit CGI script. |
8106584.cif |
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Users of the data should acknowledge the original authors of the
structural data.