Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105077
Preview
| Coordinates | 8105077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 Cl F N2 O2 |
|---|---|
| Calculated formula | C15 H12 Cl F N2 O2 |
| SMILES | c1cccc(c1C(=O)N/N=C(/c1cc(c(cc1)F)Cl)C)O |
| Title of publication | The crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl) ethylidene)-2-hydroxybenzohydrazide, C15H12ClFN2O2 |
| Authors of publication | Yan, Xifeng; Zhong, Shibin; Zhang, Hong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 263 - 265 |
| a | 13.921 ± 0.0013 Å |
| b | 13.2329 ± 0.0015 Å |
| c | 18.7191 ± 0.0019 Å |
| α | 90° |
| β | 126.25 ± 0.002° |
| γ | 90° |
| Cell volume | 2780.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0815 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274741 (current) | 2022-04-28 | cif/ Adding structures of 8105077 via cif-deposit CGI script. |
8105077.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.