Information card for entry 7215858
| Formula |
C16 H18 N2 O4 |
| Calculated formula |
C16 H18 N2 O4 |
| 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 |
7.5343 ± 0.0014 Å |
| b |
8.9454 ± 0.0017 Å |
| c |
12.885 ± 0.003 Å |
| α |
99.769 ± 0.004° |
| β |
103.689 ± 0.004° |
| γ |
108.465 ± 0.003° |
| Cell volume |
771.6 ± 0.3 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 |
0.0967 |
| Residual factor for significantly intense reflections |
0.0873 |
| Weighted residual factors for significantly intense reflections |
0.2292 |
| Weighted residual factors for all reflections included in the refinement |
0.2474 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.053 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7215858.html
