Information card for entry 7240980
| Chemical name |
4-amino-5-chloro-2-methoxybenzoic acid |
| Formula |
C8 H8 Cl N O3 |
| Calculated formula |
C8 H8 Cl N O3 |
| Title of publication |
Can solvated intermediates inform us about nucleation pathways? The case of β-pABA |
| Authors of publication |
Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2020 |
| a |
7.278 ± 0.0006 Å |
| b |
7.533 ± 0.0007 Å |
| c |
16.2004 ± 0.0011 Å |
| α |
94.713 ± 0.006° |
| β |
91.34 ± 0.006° |
| γ |
106.926 ± 0.007° |
| Cell volume |
845.8 ± 0.12 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0969 |
| Residual factor for significantly intense reflections |
0.0559 |
| Weighted residual factors for significantly intense reflections |
0.1405 |
| Weighted residual factors for all reflections included in the refinement |
0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.935 |
| Diffraction radiation probe |
x-ray |
| 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/7240980.html
