Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105140
Preview
| Coordinates | 8105140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H13 N5 O |
|---|---|
| Calculated formula | C11 H13 N5 O |
| Title of publication | Crystal structure of (E)-2-cyano-N′-(1-(3-ethylpyrazin-2-yl)ethylidene)acetohydrazide, C11H3N5O |
| Authors of publication | Gao, Xiao-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 459 - 460 |
| a | 15.727 ± 0.004 Å |
| b | 5.0572 ± 0.0012 Å |
| c | 15.452 ± 0.004 Å |
| α | 90° |
| β | 105.007 ± 0.004° |
| γ | 90° |
| Cell volume | 1187.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0839 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274883 (current) | 2022-05-04 | cif/ Adding structures of 8105140 via cif-deposit CGI script. |
8105140.cif |
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.