Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558036
Preview
| Coordinates | 1558036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-[5-(5-Methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yloxy)- 3-methyl-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-phenylpyridazin-3(2H)-one |
|---|---|
| Formula | C32 H28 N6 O3 |
| Calculated formula | C32 N6 O3 |
| SMILES | O(c1n(nc(c1c1c(=O)n(nc(c1)C)c1ccccc1)C)c1ccccc1)c1c(OC)n(nc1C)c1ccccc1 |
| Title of publication | Crystal Structure of 4-[5-(5-Methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yloxy)- 3-methyl-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-phenylpyridazin-3(2H)-one |
| Authors of publication | Mannila, Erkki; Hennig, Lothar; Rissanen, Kari |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1995 |
| Journal volume | 49 |
| Pages of publication | 774 - 777 |
| a | 13.221 ± 0.002 Å |
| b | 13.748 ± 0.002 Å |
| c | 9.455 ± 0.001 Å |
| α | 87.86 ± 0.01° |
| β | 110.54 ± 0.01° |
| γ | 116.86 ± 0.01° |
| Cell volume | 1420.5 ± 0.4 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251894 (current) | 2020-05-08 | cif/ Adding structures of 1558036 via cif-deposit CGI script. |
1558036.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.