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Information card for entry 2237510
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| Coordinates | 2237510.cif |
|---|---|
| Structure factors | 2237510.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-ethylpyridinium iodide monohydrate |
|---|---|
| Formula | C19 H27 I N2 O |
| Calculated formula | C19 H27 I N2 O |
| Title of publication | (<i>E</i>)-2-[4-(Diethylamino)styryl]-1-ethylpyridinium iodide monohydrate |
| Authors of publication | Chantrapromma, Suchada; Boonnak, Nawong; Kaewmanee, Narissara; Quah, Ching Kheng; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o458 - o459 |
| a | 7.9969 ± 0.0001 Å |
| b | 9.1336 ± 0.0001 Å |
| c | 14.774 ± 0.0002 Å |
| α | 96.22 ± 0.001° |
| β | 105.43 ± 0.001° |
| γ | 105.06 ± 0.001° |
| Cell volume | 986.05 ± 0.02 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0302 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237510.cif 2237510.hkl |
| 181297 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/75. |
2237510.cif 2237510.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237510.cif 2237510.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2237510.cif 2237510.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237510.cif 2237510.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237510.cif 2237510.hkl |
| 78802 | 2013-04-02 | cif/ Adding structures of 2237510 via cif-deposit CGI script. |
2237510.cif |
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Users of the data should acknowledge the original authors of the
structural data.