Information card for entry 1551814
| Formula |
C5 H6 N2 O2 S |
| Calculated formula |
C5 H6 N2 O2 S |
| SMILES |
S=C1NC(=O)CN1C(=O)C |
| Title of publication |
A New Polymorph of 1-Acetyl-2-thiohydantoin |
| Authors of publication |
TANIGUCHI, Kazutaka; OKUMURA, Hisako; HONDA, Mitsunori; SUDA, Mitsuhiro; FUJINAMI, Shuhei; KUWAE, Akio; HANAI, Kazuhiko; MAEDA, Shiro; KUNIMOTO, Ko-Ki |
| Journal of publication |
X-ray Structure Analysis Online |
| Year of publication |
2009 |
| Journal volume |
25 |
| Pages of publication |
93 |
| a |
4.9865 ± 0.0007 Å |
| b |
5.5716 ± 0.0007 Å |
| c |
12.544 ± 0.002 Å |
| α |
74.793 ± 0.008° |
| β |
80.413 ± 0.009° |
| γ |
85.001 ± 0.01° |
| Cell volume |
331.26 ± 0.08 Å3 |
| Cell temperature |
123.2 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 significantly intense reflections |
0.0355 |
| Weighted residual factors for all reflections included in the refinement |
0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.104 |
| Diffraction radiation wavelength |
0.7107 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/1551814.html
