Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107221
Preview
| Coordinates | 8107221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 Cl N2 O3 |
|---|---|
| Calculated formula | C16 H15 Cl N2 O3 |
| SMILES | c1(ccc(cc1)C(=O)N/N=C(\CC)c1c(ccc(c1)Cl)O)O |
| Title of publication | Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3 |
| Authors of publication | Li, Zhaoyan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 805 - 806 |
| a | 4.9561 ± 0.0017 Å |
| b | 31.458 ± 0.011 Å |
| c | 9.764 ± 0.003 Å |
| α | 90° |
| β | 93.581 ± 0.006° |
| γ | 90° |
| Cell volume | 1519.3 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283914 (current) | 2023-05-22 | cif/ Adding structures of 8107221 via cif-deposit CGI script. |
8107221.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.