Information card for entry 7124377
| Formula |
C9 H12 N2 O2 |
| Calculated formula |
C9 H12 N2 O2 |
| Title of publication |
Unorthodox crystalline drug salts via the reaction of amine-containing drugs with CO2 |
| Authors of publication |
Soltani, Mohammad; Mash, Brandon L.; Henseler, Julian; Badri, Sharhzad; Zeller, Matthias; Salter, E. Alan; Wierzbicki, Andrzej; Stenson, Alexandra C.; Davis, James H. |
| Journal of publication |
Chemical Communications |
| Year of publication |
2019 |
| a |
11.1385 ± 0.0007 Å |
| b |
11.1376 ± 0.0006 Å |
| c |
14.7537 ± 0.0009 Å |
| α |
90.66 ± 0.002° |
| β |
90.947 ± 0.002° |
| γ |
90.281 ± 0.002° |
| Cell volume |
1829.89 ± 0.19 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 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 |
0.0675 |
| Residual factor for significantly intense reflections |
0.0486 |
| Weighted residual factors for significantly intense reflections |
0.1273 |
| Weighted residual factors for all reflections included in the refinement |
0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
| 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/7124377.html
