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Information card for entry 2104909
Preview
| Coordinates | 2104909.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | chlorpropamide, β^III^-form |
|---|---|
| Chemical name | 4-chloro-N-((propylaminocarbonyl)benzenesulfonamide |
| Formula | C10 H13 Cl N2 O3 S |
| Calculated formula | C10 H13 Cl N2 O3 S |
| SMILES | CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl |
| Title of publication | Solid-state transformations in the β-form of chlorpropamide on cooling to 100K |
| Authors of publication | Drebushchak, Tatiana N.; Drebushchak, Valeri A.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | 163 - 176 |
| a | 28.4475 ± 0.0012 Å |
| b | 9.2322 ± 0.0003 Å |
| c | 19.2298 ± 0.0007 Å |
| α | 90° |
| β | 95.562 ± 0.004° |
| γ | 90° |
| Cell volume | 5026.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1238 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.809 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 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. |
2104909.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104909.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104909.cif |
| 19123 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2104908, 2104909 via cif-deposit CGI script. |
2104909.cif |
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