Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312057
Preview
| Coordinates | 2312057.cif |
|---|---|
| Structure factors | 2312057.hkl |
| Original IUCr paper | HTML |
| Chemical name | (±,E)-<i>N</i>'-(6-Methoxy-2-phenylchroman-4-ylidene)-2-(naphthalen-1-yloxy)-acetohydrazide |
|---|---|
| Formula | C28 H24 N2 O4 |
| Calculated formula | C28 H24 N2 O4 |
| SMILES | O1C(CC(=N\NC(=O)COc2cccc3ccccc23)/c2c1ccc(OC)c2)c1ccccc1 |
| Title of publication | Crystal structures of three newly synthesized flavanone hydrazones. |
| Authors of publication | Yennawar, Hemant P.; Sigmon, Anna; Margulis, Eleanora |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 3 |
| Pages of publication | 236 - 240 |
| a | 5.0681 ± 0.0006 Å |
| b | 13.4993 ± 0.0015 Å |
| c | 17.1144 ± 0.0018 Å |
| α | 74.392 ± 0.009° |
| β | 86.34 ± 0.01° |
| γ | 88.416 ± 0.01° |
| Cell volume | 1125.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1618 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.2043 |
| Weighted residual factors for all reflections included in the refinement | 0.2852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282419 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2312055, 2312056, 2312057 via cif-deposit CGI script. |
2312057.cif 2312057.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.