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Information card for entry 2240558
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| Coordinates | 2240558.cif |
|---|---|
| Structure factors | 2240558.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(1<i>H</i>-Imidazol-4-yl)ethanaminium chloride |
|---|---|
| Formula | C5 H10 Cl N3 |
| Calculated formula | C5 H10 Cl N3 |
| SMILES | [NH3+]CCc1nc[nH]c1.[Cl-] |
| Title of publication | Crystal structure of 2-(1<i>H</i>-imidazol-4-yl)ethanaminium chloride |
| Authors of publication | Belfilali, Imene; Yebdri, Siham; Louhibi, Samira; Boukli-hacene, Leila; Roisnel, Thierry |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o301 - o302 |
| a | 4.584 ± 0.0002 Å |
| b | 9.1614 ± 0.0003 Å |
| c | 17.3114 ± 0.0005 Å |
| α | 90° |
| β | 91.682 ± 0.001° |
| γ | 90° |
| Cell volume | 726.69 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240558.cif 2240558.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240558.cif 2240558.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240558.cif 2240558.hkl |
| 135212 | 2015-04-10 | cif/ hkl/ Adding structures of 2240558 via cif-deposit CGI script. |
2240558.cif 2240558.hkl |
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Users of the data should acknowledge the original authors of the
structural data.