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Information card for entry 7214418
Preview
| Coordinates | 7214418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | ethylamine |
|---|---|
| Formula | C2 H7 N |
| Calculated formula | C2 H7 N |
| SMILES | NCC |
| Title of publication | Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines |
| Authors of publication | Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 19 |
| Pages of publication | 3867 |
| a | 8.2633 ± 0.0003 Å |
| b | 7.3098 ± 0.0003 Å |
| c | 5.5317 ± 0.0002 Å |
| α | 90° |
| β | 99.088 ± 0.003° |
| γ | 90° |
| Cell volume | 329.94 ± 0.02 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for all reflections | 0.0854 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214418.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7214418.cif |
| 109533 | 2014-04-16 | cif/ Adding structures of 7214418, 7214419, 7214420, 7214421, 7214422, 7214423, 7214424, 7214425, 7214426, 7214427 via cif-deposit CGI script. |
7214418.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.