Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312132
Preview
Coordinates | 2312132.cif |
---|---|
Structure factors | 2312132.hkl |
Original IUCr paper | HTML |
Chemical name | 2-[Amino(6-phenoxypyridin-2-yl)methylidene]-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide monohydrate |
---|---|
Formula | C15 H19 N5 O2 S |
Calculated formula | C15 H19 N5 O2 S |
Title of publication | Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives. |
Authors of publication | Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | 7 |
Pages of publication | 283 - 291 |
a | 7.96887 ± 0.00014 Å |
b | 10.94707 ± 0.00018 Å |
c | 18.4759 ± 0.0003 Å |
α | 90° |
β | 96.242 ± 0.0016° |
γ | 90° |
Cell volume | 1602.2 ± 0.05 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | I 1 a 1 |
Hall space group symbol | I -2ya |
Residual factor for all reflections | 0.0221 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections included in the refinement | 0.0575 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2312132.html
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.