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Information card for entry 2105755
Preview
| Coordinates | 2105755.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Formula | C18 H24 Cl2 N8 O10 S4 |
|---|---|
| Calculated formula | C18 H24 Cl2 N8 O10 S4 |
| SMILES | Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N.Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N.NC(=O)CCC(=O)N |
| Title of publication | Tuning solubility and stability of hydrochlorothiazide co-crystals |
| Authors of publication | Sanphui, Palash; Rajput, Lalit |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 81 - 90 |
| a | 17.857 ± 0.007 Å |
| b | 10.363 ± 0.004 Å |
| c | 14.548 ± 0.005 Å |
| α | 90° |
| β | 96.459 ± 0.004° |
| γ | 90° |
| Cell volume | 2675 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2105755.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105755.cif |
| 104719 | 2014-03-11 | cif/ hkl/ Adding structures of 2105753, 2105754, 2105755, 2105756 via cif-deposit CGI script. |
2105755.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.