Information card for entry 2021784
| Common name |
metacetamol hemihydrate |
| Chemical name |
<i>N</i>-(3-Hydroxyphenyl)acetamide hemihydrate |
| Formula |
C16 H20 N2 O5 |
| Calculated formula |
C16 H20 N2 O5 |
| Title of publication |
A novel crystal form of metacetamol: the first example of a hydrated form |
| Authors of publication |
Zemtsova, Viktoria M.; Fedorov, Alexey Yu.; Fedorova, Elizaveta A.; Boa, Callum; Arkhipov, Sergey G.; Rychkov, Denis A.; Minkov, Vasily S.; Pulham, Colin R.; Boldyreva, Elena V. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2019 |
| Journal volume |
75 |
| Journal issue |
11 |
| a |
12.7626 ± 0.0004 Å |
| b |
6.92827 ± 0.00014 Å |
| c |
19.7011 ± 0.0004 Å |
| α |
90° |
| β |
104.619 ± 0.003° |
| γ |
90° |
| Cell volume |
1685.63 ± 0.08 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0778 |
| Residual factor for significantly intense reflections |
0.0478 |
| Weighted residual factors for significantly intense reflections |
0.1064 |
| Weighted residual factors for all reflections included in the refinement |
0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2021784.html
