Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020650
Preview
| Coordinates | 2020650.cif |
|---|---|
| Structure factors | 2020650.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>-Methyl-<i>N</i>'-(2-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide |
|---|---|
| Formula | C14 H13 N3 O3 S |
| Calculated formula | C14 H13 N3 O3 S |
| Title of publication | Different weak interactions in the crystals of three isomeric (<i>E</i>)-<i>N</i>-methyl-<i>N</i>'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides |
| Authors of publication | Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1677 - 1682 |
| a | 7.3989 ± 0.0005 Å |
| b | 24.491 ± 0.0017 Å |
| c | 7.7126 ± 0.0005 Å |
| α | 90° |
| β | 96.022 ± 0.002° |
| γ | 90° |
| Cell volume | 1389.86 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189974 (current) | 2017-01-06 | cif/ Updating files of 2020650, 2020651, 2020652 Original log message: Adding full bibliography for 2020650--2020652.cif. |
2020650.cif 2020650.hkl |
| 187742 | 2016-11-02 | cif/ hkl/ Adding structures of 2020650, 2020651, 2020652 via cif-deposit CGI script. |
2020650.cif 2020650.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.