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Information card for entry 7058082
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| Coordinates | 7058082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-(diphenylamino)benzamide |
|---|---|
| Formula | C19 H16 N2 O |
| Calculated formula | C19 H16 N2 O |
| Title of publication | Synthesis of blue-red emissive amido-substituted di(het)aryl and tri(het)aryl amine derivatives via chemoselective N-mono and N,N-diarylation of (het) aryl amino amides using benzyne/arynes |
| Authors of publication | Meerakrishna, Ramakrishnan Suseela; Shanmugam, Ponnusamy |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 6 |
| Pages of publication | 2550 |
| a | 9.1292 ± 0.0007 Å |
| b | 9.3744 ± 0.0007 Å |
| c | 10.0457 ± 0.0006 Å |
| α | 84.328 ± 0.003° |
| β | 88.471 ± 0.003° |
| γ | 61.065 ± 0.003° |
| Cell volume | 748.5 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058082.cif |
| 224823 | 2019-11-08 | cif/ Updating files of 7058082 Original log message: Adding full bibliography for 7058082.cif. |
7058082.cif |
| 212978 | 2019-01-11 | cif/ Adding structures of 7058082 via cif-deposit CGI script. |
7058082.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.