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Information card for entry 2241596
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| Coordinates | 2241596.cif |
|---|---|
| Structure factors | 2241596.hkl |
| Original IUCr paper | HTML |
| Common name | (<i>E</i>,<i>E</i>)-2',4'-Dihydroxyacetophenone azine dimethylformamide disolvate |
|---|---|
| Chemical name | 4,4'-[1,1'-(Hydrazinediylidene)bis(ethan-1-yl-1-ylidene)]bis(benzene-1,3-diol) |
| Formula | C22 H30 N4 O6 |
| Calculated formula | C22 H30 N4 O6 |
| SMILES | C/C(=N\N=C(C)\c1c(cc(cc1)O)O)c1c(O)cc(cc1)O.N(C)(C)C=O.C(=O)N(C)C |
| Title of publication | Crystal structure of (<i>E</i>,<i>E</i>)-2',4'-dihydroxyacetophenone azine dimethylformamide disolvate |
| Authors of publication | Li, Wen-Juan; Han, Hong-Fei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 467 - 469 |
| a | 6.1616 ± 0.0007 Å |
| b | 7.3109 ± 0.0008 Å |
| c | 13.4537 ± 0.0015 Å |
| α | 96.771 ± 0.001° |
| β | 103.049 ± 0.002° |
| γ | 96.607 ± 0.001° |
| Cell volume | 579.96 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1551 |
| Weighted residual factors for all reflections included in the refinement | 0.1874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241596.cif 2241596.hkl |
| 178112 | 2016-03-11 | cif/ hkl/ Adding structures of 2241596 via cif-deposit CGI script. |
2241596.cif 2241596.hkl |
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Users of the data should acknowledge the original authors of the
structural data.