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Information card for entry 2023341
Preview
| Coordinates | 2023341.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Luliconazole |
|---|---|
| Chemical name | (<i>E</i>)-[(4<i>R</i>)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene](1<i>H</i>-imidazol-1-yl)acetonitrile |
| Formula | C14 H9 Cl2 N3 S2 |
| Calculated formula | C14 H9 Cl2 N3 S2 |
| Title of publication | Crystal structure of luliconazole |
| Authors of publication | Ben, Anna; Chęcińska, Lilianna |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| Pages of publication | 24 - 28 |
| a | 9.0136 ± 0.0001 Å |
| b | 8.1561 ± 0.0001 Å |
| c | 10.8718 ± 0.0001 Å |
| α | 90° |
| β | 95.778 ± 0.001° |
| γ | 90° |
| Cell volume | 795.189 ± 0.015 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297029 (current) | 2025-01-01 | cif/ Adding structures of 2023341 via cif-deposit CGI script. |
2023341.cif |
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Users of the data should acknowledge the original authors of the
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