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Information card for entry 2021882
Preview
| Coordinates | 2021882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | chlorpropamide, α^II^-form |
|---|---|
| Chemical name | 4-chloro-N-((propylaminocarbonyl)benzenesulfonamide |
| Formula | C10 H13 Cl N2 O3 S |
| Calculated formula | C10 H13 Cl N2 O3 S |
| SMILES | c1(ccc(cc1)S(=O)(=O)NC(=O)NCCC)Cl |
| Title of publication | A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution |
| Authors of publication | Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | 77 |
| a | 25.602 ± 0.003 Å |
| b | 4.634 ± 0.0002 Å |
| c | 8.8525 ± 0.0004 Å |
| α | 99.109 ± 0.004° |
| β | 90° |
| γ | 90° |
| Cell volume | 1037.01 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 29100000 kPa |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 21 1 1 |
| Hall space group symbol | P 2xa |
| Residual factor for all reflections | 0.1121 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246064 (current) | 2019-12-26 | cif/ Adding structures of 2021878, 2021879, 2021880, 2021881, 2021882, 2021883 via cif-deposit CGI script. |
2021882.cif |
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Users of the data should acknowledge the original authors of the
structural data.