Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2204941
Preview
Coordinates | 2204941.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 4-(3-Methylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole |
---|---|
Formula | C19 H15 N5 |
Calculated formula | C19 H15 N5 |
Title of publication | 4-(3-Methylphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole |
Authors of publication | Zhang, Shu-Ping; You, Zhong-Lu; Shao, Si-Chang; Zhu, Hai-Liang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 1 |
Pages of publication | o27 - o28 |
a | 11.229 ± 0.001 Å |
b | 9.207 ± 0.001 Å |
c | 19.086 ± 0.001 Å |
α | 90° |
β | 125.4 ± 0.01° |
γ | 90° |
Cell volume | 1608.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1261 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.1128 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204941.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.