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Information card for entry 7235709
Preview
| Coordinates | 7235709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
|---|---|
| Formula | C14 H11 Cl N2 O |
| Calculated formula | C14 H11 Cl N2 O |
| Title of publication | Cascade synthesis of 2-pyridones using acrylamides and ketones |
| Authors of publication | Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 83 |
| Pages of publication | 44141 |
| a | 9.3937 ± 0.001 Å |
| b | 17.428 ± 0.002 Å |
| c | 18.0482 ± 0.0018 Å |
| α | 61.217 ± 0.012° |
| β | 78.071 ± 0.009° |
| γ | 87.092 ± 0.009° |
| Cell volume | 2529.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1847 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.2144 |
| Weighted residual factors for all reflections included in the refinement | 0.25 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
7235709.cif |
| 233241 | 2019-11-23 | cif/ Adding structures of 7235707, 7235708, 7235709, 7235710 via cif-deposit CGI script. |
7235709.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.