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Information card for entry 2233973
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| Coordinates | 2233973.cif |
|---|---|
| Structure factors | 2233973.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>E</i>)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzonitrile |
|---|---|
| Formula | C18 H19 N3 O |
| Calculated formula | C18 H19 N3 O |
| SMILES | Oc1c(/C=N/c2ccc(C#N)cc2)ccc(N(CC)CC)c1 |
| Title of publication | (<i>E</i>)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzonitrile |
| Authors of publication | Chang, Ming-Jen; Fang, Tzu-Chien; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o904 - o905 |
| a | 15.361 ± 0.003 Å |
| b | 12.118 ± 0.002 Å |
| c | 8.7317 ± 0.0014 Å |
| α | 90° |
| β | 100.717 ± 0.004° |
| γ | 90° |
| Cell volume | 1597 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1288 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.1706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233973.cif 2233973.hkl |
| 181261 | 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 2/23/39. |
2233973.cif 2233973.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. |
2233973.cif 2233973.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233973.cif 2233973.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233973.cif 2233973.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233973.cif 2233973.hkl |
| 51231 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233973 via cif-deposit CGI script. |
2233973.cif |
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Users of the data should acknowledge the original authors of the
structural data.