Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2222765
Preview
Coordinates | 2222765.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 4-Hydrazino-1-methylpyrazolo[3,4-<i>d</i>]pyrimidine |
---|---|
Formula | C6 H8 N6 |
Calculated formula | C6 H8 N6 |
SMILES | NNc1ncnc2c1cnn2C |
Title of publication | 4-Hydrazino-1-methylpyrazolo[3,4-<i>d</i>]pyrimidine |
Authors of publication | Dolzhenko, Anton V.; Pastorin, Giorgia; Dolzhenko, Anna V.; Tan, Geok Kheng; Koh, Lip Lin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 8 |
Pages of publication | o1720 - o1721 |
a | 14.086 ± 0.004 Å |
b | 3.8756 ± 0.0012 Å |
c | 27.271 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1488.8 ± 0.8 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1571 |
Weighted residual factors for all reflections included in the refinement | 0.1586 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2222765.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.