Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2311164
Preview
| Coordinates | 2311164.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 5-Fluoro-3-phenyl-<i>N</i>'-(4-propylcyclohexylidene)-1<i>H</i>-indole-2-carbohydrazide |
|---|---|
| Formula | C24 H26 F N3 O |
| Calculated formula | C24 H26 F N3 O |
| SMILES | Fc1ccc2[nH]c(c(c2c1)c1ccccc1)C(=O)NN=C1CCC(CC1)CCC |
| Title of publication | 5-Fluoro-3-phenyl-N'-(4-propyl-cyclo-hexyl-idene)-1H-indole-2-carbohydrazide. |
| Authors of publication | Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 8 |
| Pages of publication | o1202 |
| a | 22.6986 ± 0.0011 Å |
| b | 22.6986 ± 0.0011 Å |
| c | 8.448 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4352.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311164.cif |
| 245636 | 2019-12-25 | cif/ Adding structures of 2311164 via cif-deposit CGI script. |
2311164.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.