Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020324
Preview
| Coordinates | 2020324.cif |
|---|---|
| Structure factors | 2020324.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-\ 1,2-diyl]bis(phenyldiazene) |
|---|---|
| Formula | C26 H20 Cl2 N4 |
| Calculated formula | C26 H20 Cl2 N4 |
| SMILES | [C@@H](N=Nc1ccccc1)(c1ccc(cc1)Cl)[C@@H](N=Nc1ccccc1)c1ccc(cc1)Cl |
| Title of publication | Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder |
| Authors of publication | Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 57 - 62 |
| a | 6.1037 ± 0.0004 Å |
| b | 9.3345 ± 0.0007 Å |
| c | 10.4146 ± 0.0007 Å |
| α | 83.039 ± 0.001° |
| β | 77.139 ± 0.009° |
| γ | 85.055 ± 0.001° |
| Cell volume | 573.15 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0748 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1686 |
| Weighted residual factors for all reflections included in the refinement | 0.1771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020324.cif 2020324.hkl |
| 181873 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020324.cif 2020324.hkl |
| 176629 | 2016-02-17 | cif/ Updating files of 2020324, 2020325 Original log message: Adding full bibliography for 2020324--2020325.cif. |
2020324.cif 2020324.hkl |
| 176577 | 2016-02-17 | cif/ Updating files of 2020324, 2020325 Original log message: Adding full bibliography for 2020324--2020325.cif. |
2020324.cif 2020324.hkl |
| 171635 | 2015-12-20 | cif/ hkl/ Adding structures of 2020324, 2020325 via cif-deposit CGI script. |
2020324.cif 2020324.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.