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Information card for entry 7226673
Preview
| Coordinates | 7226673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H14 N O5 |
|---|---|
| Calculated formula | C15 H14 N O5 |
| Title of publication | Pyridine N-oxides as coformers in the development of drug cocrystals |
| Authors of publication | Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 43 |
| Pages of publication | 8454 |
| a | 10.1347 ± 0.0004 Å |
| b | 10.8799 ± 0.0005 Å |
| c | 12.0819 ± 0.0005 Å |
| α | 90° |
| β | 101.789 ± 0.002° |
| γ | 90° |
| Cell volume | 1304.1 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0899 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
| 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. |
7226673.cif |
| 188084 | 2016-11-08 | cif/ Updating files of 7226673, 7226674, 7226675, 7226676, 7226677, 7226678 Original log message: Adding full bibliography for 7226673--7226678.cif. |
7226673.cif |
| 186848 | 2016-09-30 | cif/ Adding structures of 7226673, 7226674, 7226675, 7226676, 7226677, 7226678 via cif-deposit CGI script. |
7226673.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.