Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226064
Preview
| Coordinates | 7226064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (E)-N-(2-fluoro-2-(1H-imidazol-1-yl)vinyl)-1,1-diphenylmethanimine |
|---|---|
| Formula | C18 H14 F N3 |
| Calculated formula | C18 H14 F N3 |
| SMILES | F/C(=C/N=C(c1ccccc1)c1ccccc1)n1cncc1 |
| Title of publication | One-pot syntheses of N-(α-fluorovinyl)azole derivatives from N-(diphenylmethylene)-2,2,2-trifluoroethanamine |
| Authors of publication | Zhang, Donghua; Liu, Haihua; Zhu, Pengcheng; Meng, Weidong; Huang, Yangen |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 11.382 ± 0.002 Å |
| b | 9.834 ± 0.002 Å |
| c | 14.321 ± 0.003 Å |
| α | 90° |
| β | 109.4 ± 0.03° |
| γ | 90° |
| Cell volume | 1511.9 ± 0.6 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226064.cif |
| 184704 | 2016-07-28 | cif/ Adding structures of 7226064 via cif-deposit CGI script. |
7226064.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.