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Information card for entry 7238887
Preview
| Coordinates | 7238887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione |
|---|---|
| Chemical name | (Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione |
| Formula | C23 H19 N O2 |
| Calculated formula | C23 H19 N O2 |
| Title of publication | Reactions of diphenacylaniline and diphenacyl sulfide under Gewald conditions: generation of enamines and thioamides |
| Authors of publication | Paul, Nidhin; Sathishkumar, Ramalingam; Anuba, Chellathurai; Muthusubramanian, Shanmugam |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 20 |
| Pages of publication | 7445 |
| a | 10.0504 ± 0.0007 Å |
| b | 8.675 ± 0.0007 Å |
| c | 21.42 ± 0.0012 Å |
| α | 90° |
| β | 103.066 ± 0.006° |
| γ | 90° |
| Cell volume | 1819.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0695 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238887.cif |
| 244446 | 2019-11-28 | cif/ Adding structures of 7238887 via cif-deposit CGI script. |
7238887.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.