Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232052
Preview
| Coordinates | 7232052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | isonicotinamide |
|---|---|
| Chemical name | 4-pyridinecarboxamide |
| Formula | C6 H6 N2 O |
| Calculated formula | C6 H6 N2 O |
| Title of publication | A new polymorph of the common coformer isonicotinamide |
| Authors of publication | Vicatos, Alexios I.; Caira, Mino R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 843 |
| a | 9.888 ± 0.0012 Å |
| b | 7.9929 ± 0.0009 Å |
| c | 15.162 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1198.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
7232052.cif |
| 223547 | 2019-11-07 | cif/ Updating files of 7232052 Original log message: Adding full bibliography for 7232052.cif. |
7232052.cif |
| 212698 | 2018-12-21 | cif/ Adding structures of 7232052 via cif-deposit CGI script. |
7232052.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.