Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022639
Preview
| Coordinates | 2022639.cif |
|---|---|
| Structure factors | 2022639.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-(Cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide) methanol monosolvate |
|---|---|
| Formula | C21 H22 F2 N4 O3 |
| Calculated formula | C21 H22 F2 N4 O3 |
| SMILES | Fc1ccc(C(=O)N/N=C2\C(=N\NC(=O)c3ccc(F)cc3)CCCC2)cc1.OC |
| Title of publication | Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities |
| Authors of publication | OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab |
| Journal of publication | Acta Crystallographica, Section C: Structural Chemistry |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| Pages of publication | 476 - 482 |
| a | 7.5679 ± 0.0003 Å |
| b | 15.25 ± 0.0007 Å |
| c | 17.5264 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2022.73 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276705 (current) | 2022-07-07 | cif/ hkl/ Adding structures of 2022639 via cif-deposit CGI script. |
2022639.cif 2022639.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.