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Information card for entry 2021879
Preview
| Coordinates | 2021879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | chlorpropamide, α-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 | 26.5733 ± 0.0018 Å |
| b | 4.7178 ± 0.0002 Å |
| c | 8.6406 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1083.25 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 21000000 kPa |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| 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. |
2021879.cif |
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Users of the data should acknowledge the original authors of the
structural data.