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Information card for entry 4516510
Preview
| Coordinates | 4516510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H15 Cl N3 O5 S |
|---|---|
| Calculated formula | C17 H15 Cl N3 O5 S |
| Title of publication | Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism |
| Authors of publication | Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 5858 |
| a | 11.4746 ± 0.0002 Å |
| b | 9.663 ± 0.0002 Å |
| c | 16.1003 ± 0.0003 Å |
| α | 90° |
| β | 101.215 ± 0.001° |
| γ | 90° |
| Cell volume | 1751.1 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0319 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516510.cif |
| 231349 | 2019-11-22 | cif/ Adding structures of 4516509, 4516510, 4516511, 4516512 via cif-deposit CGI script. |
4516510.cif |
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Users of the data should acknowledge the original authors of the
structural data.