Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242070
Preview
| Coordinates | 2242070.cif |
|---|---|
| Structure factors | 2242070.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1-Tetralone 4-ethylthiosemicarbazone |
|---|---|
| Chemical name | <i>N</i>-Ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide |
| Formula | C13 H17 N3 S |
| Calculated formula | C13 H17 N3 S |
| Title of publication | Crystal structure of <i>N</i>-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide |
| Authors of publication | de Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; de Farias, Renan Lira; Feitoza, Bárbara Regina Santos |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 291 - 295 |
| a | 11.1342 ± 0.0002 Å |
| b | 10.233 ± 0.0002 Å |
| c | 23.399 ± 0.0005 Å |
| α | 90° |
| β | 102.724 ± 0.001° |
| γ | 90° |
| Cell volume | 2600.52 ± 0.09 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0627 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193938 (current) | 2017-03-05 | cif/ hkl/ Adding structures of 2242070 via cif-deposit CGI script. |
2242070.cif 2242070.hkl |
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.