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Information card for entry 2100671
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| Coordinates | 2100671.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | ethylenediamine |
|---|---|
| Chemical name | 1,2-diaminoethane phase II |
| Formula | C2 H8 N2 |
| Calculated formula | C2 H8 N2 |
| SMILES | NCCN |
| Title of publication | Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure |
| Authors of publication | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | 1078 - 1089 |
| a | 5.1 ± 0.03 Å |
| b | 5.212 ± 0.002 Å |
| c | 7.262 ± 0.012 Å |
| α | 90° |
| β | 111.6 ± 0.4° |
| γ | 90° |
| Cell volume | 179.5 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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