Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2105320
Preview
| Coordinates | 2105320.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider |
| 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 |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | 77 - 85 |
| a | 26.573 ± 0.002 Å |
| b | 4.8587 ± 0.0002 Å |
| c | 8.8165 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1138.3 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 11800000 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 | 0.0727 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201972 (current) | 2017-10-13 | cif/ Marking COD entries in range 2/10 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2105320.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. |
2105320.cif |
| 75325 | 2013-03-09 | cif/ Adding structures of 2105320, 2105321, 2105322, 2105323, 2105324, 2105325 via cif-deposit CGI script. |
2105320.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.