Information card for entry 8107347
| Formula |
C12 H13 N3 O7 |
| Calculated formula |
C12 H13 N3 O7 |
| Title of publication |
The crystal structure of 2,3,4-trihydroxybenzoic- acid—pyrazine-2-carboxamide—water (1/1/1), C12H13N3O7 |
| Authors of publication |
Jiang, Cheng-Jun; Wang, Zhi-Hua; Xia, Ying-Fan; Li, Chao-Feng; Lin, Shu-ting; Zhang, Jia-rong |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2023 |
| Journal volume |
238 |
| Journal issue |
1 |
| Pages of publication |
43 - 44 |
| a |
6.9878 ± 0.0009 Å |
| b |
7.0956 ± 0.0008 Å |
| c |
13.8113 ± 0.0015 Å |
| α |
88.745 ± 0.005° |
| β |
87.764 ± 0.005° |
| γ |
75.785 ± 0.005° |
| Cell volume |
663.27 ± 0.14 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 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 |
0.0636 |
| Residual factor for significantly intense reflections |
0.0455 |
| Weighted residual factors for significantly intense reflections |
0.1146 |
| Weighted residual factors for all reflections included in the refinement |
0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8107347.html
