Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243962
Preview
| Coordinates | 2243962.cif |
|---|---|
| Structure factors | 2243962.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,6'-((1<i>E</i>,1'<i>E</i>)-{[1,4-Phenylenebis(methylene)]bis(azanylylidene)}bis(methaneylylidene))bis(2-methoxyphenol) |
|---|---|
| Formula | C24 H24 N2 O4 |
| Calculated formula | C24 H24 N2 O4 |
| SMILES | COc1cccc(c1O)/C=N/Cc1ccc(C/N=C/c2cccc(c2O)OC)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 6,6'-((1<i>E</i>,1'<i>E</i>)-{[1,4-phenylenebis(methylene)]bis(azanylylidene)}bis(methaneylylidene))bis(2-methoxyphenol) |
| Authors of publication | Kansiz, Sevgi; Yesilbag, Semanur; Dege, Necmi; Saif, Eiad; Agar, Erbil |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 1 |
| a | 4.7339 ± 0.001 Å |
| b | 18.406 ± 0.004 Å |
| c | 11.88 ± 0.002 Å |
| α | 90° |
| β | 98.47 ± 0.03° |
| γ | 90° |
| Cell volume | 1023.8 ± 0.4 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271581 (current) | 2021-12-22 | cif/ hkl/ Adding structures of 2243962 via cif-deposit CGI script. |
2243962.cif 2243962.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.