Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243863
Preview
| Coordinates | 2243863.cif |
|---|---|
| Structure factors | 2243863.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(2-chlorobenzylidene)hydrazinyl]-2-oxoethyl}benzenesulfonamide |
|---|---|
| Formula | C15 H13 Cl2 N3 O3 S |
| Calculated formula | C15 H13 Cl2 N3 O3 S |
| SMILES | c1(ccc(cc1)Cl)S(=O)(=O)NCC(=O)N/N=C/c1c(cccc1)Cl |
| Title of publication | Crystal structures of three <i>N</i>-acylhydrazone isomers |
| Authors of publication | Purandara, H.; Foro, Sabine; Thimme Gowda, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 8 |
| Pages of publication | 780 - 784 |
| a | 7.7426 ± 0.0007 Å |
| b | 10.429 ± 0.001 Å |
| c | 10.934 ± 0.001 Å |
| α | 85.51 ± 0.01° |
| β | 76.92 ± 0.01° |
| γ | 81.04 ± 0.01° |
| Cell volume | 848.64 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267456 (current) | 2021-07-10 | cif/ hkl/ Adding structures of 2243863, 2243864, 2243865 via cif-deposit CGI script. |
2243863.cif 2243863.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.