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Information card for entry 7225442
Preview
| Coordinates | 7225442.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | chlorpropamide |
|---|---|
| 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 | Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide |
| Authors of publication | Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 29 |
| Pages of publication | 5423 |
| a | 6.104 ± 0.0005 Å |
| b | 8.9243 ± 0.0008 Å |
| c | 12.0304 ± 0.0014 Å |
| α | 90° |
| β | 99.516 ± 0.008° |
| γ | 90° |
| Cell volume | 646.33 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1033 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1878 |
| Weighted residual factors for all reflections included in the refinement | 0.2044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.81984 Å |
| Diffraction radiation type | x-rays |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185259 (current) | 2016-08-07 | cif/ Updating files of 7225442 Original log message: Adding full bibliography for 7225442.cif. |
7225442.cif |
| 183370 | 2016-06-11 | cif/ Adding structures of 7225442 via cif-deposit CGI script. |
7225442.cif |
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Users of the data should acknowledge the original authors of the
structural data.