Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7219234
Preview
| Coordinates | 7219234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-ODHPCA |
|---|---|
| Chemical name | 2-oxo-1,2-dihydro-3-pyridinecarboxylic acid |
| Formula | C6 H5 N O3 |
| Calculated formula | C6 H5 N O3 |
| SMILES | c1(=O)c(ccc[nH]1)C(=O)O |
| Title of publication | Solid-state identity of 2-hydroxynicotinic acid and its polymorphism |
| Authors of publication | Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 5195 |
| a | 3.725 ± 0.001 Å |
| b | 7.368 ± 0.002 Å |
| c | 20.417 ± 0.004 Å |
| α | 90° |
| β | 91.47 ± 0.01° |
| γ | 90° |
| Cell volume | 560.2 ± 0.2 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180523 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92. |
7219234.cif |
| 143454 | 2015-07-11 | cif/ Updating files of 7219233, 7219234, 7219235, 7219236 Original log message: Adding full bibliography for 7219233--7219236.cif. |
7219234.cif |
| 129441 | 2015-01-08 | cif/ Adding structures of 7219233, 7219234, 7219235, 7219236 via cif-deposit CGI script. |
7219234.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.