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Information card for entry 7247713
Preview
| Coordinates | 7247713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tioconazole-oxalate-oxalic acid (1:0.5:0.5)salt cocrystal |
|---|---|
| Formula | C18 H15 Cl3 N2 O5 S |
| Calculated formula | C18 H15 Cl3 N2 O5 S |
| Title of publication | Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes |
| Authors of publication | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 48 |
| Pages of publication | 6758 - 6776 |
| a | 10.2522 ± 0.0002 Å |
| b | 10.7638 ± 0.0004 Å |
| c | 11.0528 ± 0.0004 Å |
| α | 112.364 ± 0.004° |
| β | 105.711 ± 0.002° |
| γ | 96.357 ± 0.002° |
| Cell volume | 1054.06 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.099 |
| Residual factor for significantly intense reflections | 0.0918 |
| Weighted residual factors for significantly intense reflections | 0.2553 |
| Weighted residual factors for all reflections included in the refinement | 0.2641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288801 (current) | 2024-01-06 | cif/ Updating files of 7247709, 7247710, 7247711, 7247712, 7247713, 7247714, 7247715, 7247716, 7247717, 7247718, 7247719, 7247720, 7247721, 7247722, 7247723, 7247724 Original log message: Adding full bibliography for 7247709--7247724.cif. |
7247713.cif |
| 287595 | 2023-11-15 | cif/ Adding structures of 7247709, 7247710, 7247711, 7247712, 7247713, 7247714, 7247715, 7247716, 7247717, 7247718, 7247719, 7247720, 7247721, 7247722, 7247723, 7247724 via cif-deposit CGI script. |
7247713.cif |
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Users of the data should acknowledge the original authors of the
structural data.