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Information card for entry 2022893
Preview
| Coordinates | 2022893.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C10 H12 N O3 |
|---|---|
| Calculated formula | C10 H12 N O3 |
| Title of publication | Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug |
| Authors of publication | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 946 - 964 |
| a | 6.83171 ± 0.00009 Å |
| b | 7.09634 ± 0.0001 Å |
| c | 10.01294 ± 0.00014 Å |
| α | 72.4243 ± 0.0004° |
| β | 85.7351 ± 0.0004° |
| γ | 73.9285 ± 0.0004° |
| Cell volume | 444.659 ± 0.011 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.