Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7235710
Preview
| Coordinates | 7235710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-oxo-4-phenyl-6-propyl-1,2-dihydropyridine-3-carbonitrile |
|---|---|
| Formula | C15 H14 N2 O |
| Calculated formula | C15 H14 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 | 9.7064 ± 0.001 Å |
| b | 9.7294 ± 0.001 Å |
| c | 14.4315 ± 0.0014 Å |
| α | 82.404 ± 0.008° |
| β | 77.082 ± 0.009° |
| γ | 75.69 ± 0.009° |
| Cell volume | 1282.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1061 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
7235710.cif |
| 233241 | 2019-11-23 | cif/ Adding structures of 7235707, 7235708, 7235709, 7235710 via cif-deposit CGI script. |
7235710.cif |
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.