Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561634
Preview
| Coordinates | 1561634.cif |
|---|---|
| Structure factors | 1561634.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide |
|---|---|
| Formula | C16 H12 Cl4 N2 O4 |
| Calculated formula | C16 H12 Cl4 N2 O4 |
| SMILES | c1(c(cc(cc1)Cl)Cl)OCC(=O)NNC(=O)COc1c(cc(cc1)Cl)Cl |
| Title of publication | 2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide |
| Authors of publication | El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | x210318 |
| a | 9.7398 ± 0.0004 Å |
| b | 4.654 ± 0.0002 Å |
| c | 20.1866 ± 0.0009 Å |
| α | 90° |
| β | 100.842 ± 0.004° |
| γ | 90° |
| Cell volume | 898.71 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0613 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264039 (current) | 2021-04-10 | cif/ hkl/ Adding structures of 1561634 via cif-deposit CGI script. |
1561634.cif 1561634.hkl |
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.