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Information card for entry 7224961
Preview
| Coordinates | 7224961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | methyl yellow |
|---|---|
| Chemical name | 'N,N-dimethyl-4-aminoazobenzene ' |
| Formula | C14 H15 N3 |
| Calculated formula | C14 H15 N3 |
| SMILES | CN(C)c1ccc(cc1)N=Nc1ccccc1 |
| Title of publication | Polymorphism of the azobenzene dye compound methyl yellow |
| Authors of publication | Cruickshank, Dyanne L.; Hendon, Christopher H.; Verbeek, Matthew J. R.; Walsh, Aron; Wilson, Chick C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 19 |
| Pages of publication | 3456 |
| a | 6.2362 ± 0.0002 Å |
| b | 16.4475 ± 0.0006 Å |
| c | 11.5774 ± 0.0005 Å |
| α | 90° |
| β | 93.457 ± 0.004° |
| γ | 90° |
| Cell volume | 1185.33 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0892 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224961.cif |
| 185291 | 2016-08-07 | cif/ Updating files of 7224961 Original log message: Adding full bibliography for 7224961.cif. |
7224961.cif |
| 182224 | 2016-04-21 | cif/ Adding structures of 7224961 via cif-deposit CGI script. |
7224961.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.