Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019992
Preview
| Coordinates | 2019992.cif |
|---|---|
| Structure factors | 2019992.hkl |
| Original IUCr paper | HTML |
| Common name | (1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine] |
|---|---|
| Chemical name | (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-3-(2-nitrophenyl)prop-2-en-1-ylidene]ethane-1,2-diamine |
| Formula | C20 H18 N4 O4 |
| Calculated formula | C20 H18 N4 O4 |
| SMILES | C(/N=C/C=C/c1ccccc1N(=O)=O)C/N=C/C=C/c1ccccc1N(=O)=O |
| Title of publication | Synthesis, characterization and crystal structures of the bidentate Schiff base <i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine and its complex with CuNCS and triphenylphosphane |
| Authors of publication | Clegg, William; Harrington, Ross W.; Barati, Kazem; Habibi, Mohammad Hossein; Montazerozohori, Morteza; Lalegani, Arash |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| a | 11.441 ± 0.007 Å |
| b | 3.781 ± 0.002 Å |
| c | 20.553 ± 0.012 Å |
| α | 90° |
| β | 97.444 ± 0.01° |
| γ | 90° |
| Cell volume | 881.6 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.6727 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019992.cif 2019992.hkl |
| 139368 | 2015-06-19 | cif/ hkl/ Adding structures of 2019992, 2019993 via cif-deposit CGI script. |
2019992.cif 2019992.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.