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Information card for entry 7226571
Preview
| Coordinates | 7226571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H10 F2 N2 |
|---|---|
| Calculated formula | C13 H10 F2 N2 |
| 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 | 10.229 ± 0.003 Å |
| b | 10.526 ± 0.004 Å |
| c | 12.346 ± 0.004 Å |
| α | 66.68 ± 0.01° |
| β | 78.973 ± 0.011° |
| γ | 67.688 ± 0.01° |
| Cell volume | 1128 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0797 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
7226571.cif |
| 188103 | 2016-11-08 | cif/ Updating files of 7226571, 7226572 Original log message: Adding full bibliography for 7226571--7226572.cif. |
7226571.cif |
| 186617 | 2016-09-17 | cif/ Adding structures of 7226571, 7226572 via cif-deposit CGI script. |
7226571.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.