Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572816
Preview
Coordinates | 1572816.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Methyl 2-[(<i>Z</i>)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate |
---|---|
Formula | C11 H11 N3 O S2 |
Calculated formula | C11 H11 N3 O S2 |
Title of publication | Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate |
Authors of publication | Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P. |
Journal of publication | IUCrData |
Year of publication | 2024 |
Journal volume | 9 |
Journal issue | 10 |
a | 4.9897 ± 0.0004 Å |
b | 21.8014 ± 0.0019 Å |
c | 11.3394 ± 0.0009 Å |
α | 90° |
β | 92.995 ± 0.008° |
γ | 90° |
Cell volume | 1231.84 ± 0.18 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 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 | 0.1403 |
Residual factor for significantly intense reflections | 0.0788 |
Weighted residual factors for significantly intense reflections | 0.1493 |
Weighted residual factors for all reflections included in the refinement | 0.1853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1572816.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.