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Information card for entry 7249628
Preview
| Coordinates | 7249628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H15 Cl2 N3 S |
|---|---|
| Calculated formula | C22 H15 Cl2 N3 S |
| Title of publication | Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates |
| Authors of publication | Nath, Jitendra; Baruah, Jubaraj B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 3.968 ± 0.002 Å |
| b | 19.46 ± 0.011 Å |
| c | 25.084 ± 0.013 Å |
| α | 90° |
| β | 91.79 ± 0.02° |
| γ | 90° |
| Cell volume | 1936 ± 1.8 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1621 |
| Residual factor for significantly intense reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.1701 |
| Weighted residual factors for all reflections included in the refinement | 0.2131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296051 (current) | 2024-11-22 | cif/ Adding structures of 7249627, 7249628, 7249629, 7249630, 7249631, 7249632, 7249633, 7249634, 7249635 via cif-deposit CGI script. |
7249628.cif |
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Users of the data should acknowledge the original authors of the
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