Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226572
Preview
| Coordinates | 7226572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H22 F4 N4 O |
|---|---|
| Calculated formula | C26 H22 F4 N4 O |
| Title of publication | Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O–H⋯F interaction |
| Authors of publication | Dey, Dhananjay; Chopra, Deepak |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 42 |
| Pages of publication | 8291 |
| a | 9.8216 ± 0.0003 Å |
| b | 11.6073 ± 0.0004 Å |
| c | 12.2477 ± 0.0004 Å |
| α | 105.726 ± 0.002° |
| β | 111.775 ± 0.001° |
| γ | 105.364 ± 0.002° |
| Cell volume | 1139 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226572.cif |
| 188103 | 2016-11-08 | cif/ Updating files of 7226571, 7226572 Original log message: Adding full bibliography for 7226571--7226572.cif. |
7226572.cif |
| 186617 | 2016-09-17 | cif/ Adding structures of 7226571, 7226572 via cif-deposit CGI script. |
7226572.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.