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Information card for entry 1501694
Preview
| Coordinates | 1501694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 H8 Cl N |
|---|---|
| Calculated formula | C2 H8 Cl N |
| SMILES | [NH3+]CC.[Cl-] |
| Title of publication | Thermal and structural properties of ethylammonium chloride and its mixture with water. |
| Authors of publication | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2011 |
| Journal volume | 115 |
| Journal issue | 17 |
| Pages of publication | 4887 - 4899 |
| a | 8.26299 ± 0.00014 Å |
| b | 6.00194 ± 0.00008 Å |
| c | 4.56608 ± 0.00007 Å |
| α | 90° |
| β | 94.2299 ± 0.0014° |
| γ | 90° |
| Cell volume | 225.833 ± 0.006 Å3 |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| RFsqd | 0.0641 |
| Goodness-of-fit parameter for all reflections | 1.43 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | Kα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1501694.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501694.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501694.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501694.cif |
| 35046 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501694 via cif-deposit CGI script. |
1501694.cif |
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Users of the data should acknowledge the original authors of the
structural data.