Information card for entry 7217372
| Formula |
C12 H13 N2 O7 |
| Calculated formula |
C12 H13 N2 O7 |
| Title of publication |
Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids |
| Authors of publication |
Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
30 |
| Pages of publication |
7074 |
| a |
7.8574 ± 0.0013 Å |
| b |
8.3711 ± 0.0011 Å |
| c |
11.1437 ± 0.0013 Å |
| α |
88.282 ± 0.002° |
| β |
72.163 ± 0.001° |
| γ |
84.647 ± 0.002° |
| Cell volume |
694.7 ± 0.17 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.0692 |
| Residual factor for significantly intense reflections |
0.0612 |
| Weighted residual factors for significantly intense reflections |
0.1773 |
| Weighted residual factors for all reflections included in the refinement |
0.1872 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Duplicate of |
7215857 |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7217372.html
