Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106959
Preview
| Coordinates | 8106959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H7 Br N2 O2 S |
|---|---|
| Calculated formula | C6 H7 Br N2 O2 S |
| Title of publication | Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S |
| Authors of publication | Ghabbour, Hazem A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 629 - 630 |
| a | 11.2669 ± 0.0005 Å |
| b | 8.3859 ± 0.0003 Å |
| c | 19.4047 ± 0.0008 Å |
| α | 90° |
| β | 95.207 ± 0.002° |
| γ | 90° |
| Cell volume | 1825.85 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282010 (current) | 2023-03-23 | cif/ Adding structures of 8106959 via cif-deposit CGI script. |
8106959.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.