Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550460
Preview
| Coordinates | 1550460.cif |
|---|---|
| Structure factors | 1550460.hkl |
| Original IUCr paper | HTML |
| Common name | 2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol |
|---|---|
| Formula | C20 H21 N5 O |
| Calculated formula | C20 H21 N5 O |
| SMILES | Cc1ccc(cc1)/N=N/c1cc(/C=N/CCCn2cncc2)c(O)cc1 |
| Title of publication | 2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol |
| Authors of publication | Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | x190036 |
| a | 12.241 ± 0.0004 Å |
| b | 5.9386 ± 0.0002 Å |
| c | 25.2112 ± 0.0009 Å |
| α | 90° |
| β | 90.317 ± 0.003° |
| γ | 90° |
| Cell volume | 1832.69 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0931 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.234 |
| Weighted residual factors for all reflections included in the refinement | 0.2445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213011 (current) | 2019-01-12 | cif/ hkl/ Adding structures of 1550460 via cif-deposit CGI script. |
1550460.cif 1550460.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.