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Information card for entry 1519227
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| Coordinates | 1519227.cif |
|---|---|
| External links | PubChem |
| Common name | p-acetoamidobenzenesulfonamido-5-chloropyridine |
|---|---|
| Chemical name | p-acetoamidobenzenesulfonamido-5-chloropyridine |
| Formula | C13 H12 Cl N3 O3 S |
| Calculated formula | C13 H12 Cl N3 O3 S |
| SMILES | Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)nc1 |
| Title of publication | p-acetoamidobenzenesulfonamide-5-chloropyridine |
| Authors of publication | Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1999 |
| Pages of publication | 164 |
| a | 7.879 ± 0.002 Å |
| b | 9.393 ± 0.002 Å |
| c | 10.085 ± 0.002 Å |
| α | 90.01 ± 0.03° |
| β | 108.24 ± 0.03° |
| γ | 103.77 ± 0.03° |
| Cell volume | 686.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519227.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519227.cif |
| 135545 | 2015-05-05 | cif/ Adding structures of 1519227 via cif-deposit CGI script. |
1519227.cif |
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Users of the data should acknowledge the original authors of the
structural data.