Information card for entry 2022938
| Common name |
Pyridine-2,6-diol |
| Chemical name |
6-Hydroxy-1,2-dihydropyridin-2-one |
| Formula |
C30 H30 N6 O12 |
| Calculated formula |
C30 H30 N6 O12 |
| Title of publication |
Synthesis and crystallographic characterization of 6-hydroxy-1,2-dihydropyridin-2-one |
| Authors of publication |
Phillips, Sara K.; Brancato, Savannah G.; MacMillan, Samantha N.; Snider, Mark J.; Roering, Andrew J.; Hicks, Katherine A. |
| Journal of publication |
Acta Crystallographica Section E Crystallographic Communications |
| Year of publication |
2023 |
| Journal volume |
79 |
| Journal issue |
12 |
| Pages of publication |
1147 - 1150 |
| a |
9.58785 ± 0.00004 Å |
| b |
16.83642 ± 0.00008 Å |
| c |
19.55978 ± 0.0001 Å |
| α |
90° |
| β |
103.732 ± 0.0005° |
| γ |
90° |
| Cell volume |
3067.19 ± 0.03 Å3 |
| Cell temperature |
99.9 ± 0.6 K |
| Ambient diffraction temperature |
99.9 ± 0.6 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 |
0.0336 |
| Residual factor for significantly intense reflections |
0.0318 |
| Weighted residual factors for significantly intense reflections |
0.0814 |
| Weighted residual factors for all reflections included in the refinement |
0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2022938.html
