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Information card for entry 2020688
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| Coordinates | 2020688.cif |
|---|---|
| Structure factors | 2020688.hkl |
| Original paper (by DOI) | HTML |
| Common name | Sulfamethazine pyridine monosolvate |
|---|---|
| Chemical name | 4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate |
| Formula | C18 H21 N5 O2 S |
| Calculated formula | C18 H21 N5 O2 S |
| SMILES | S(=O)(=O)(Nc1nc(cc(n1)C)C)c1ccc(N)cc1.c1(cnccc1)C |
| Title of publication | Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine |
| Authors of publication | Patel, Urmila H.; Purohit, Ketankumar P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 9 - 12 |
| a | 9.692 ± 0.0002 Å |
| b | 25.1673 ± 0.0006 Å |
| c | 7.9853 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1947.79 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191424 (current) | 2017-02-04 | cif/ Updating files of 2020687, 2020688 Original log message: Adding full bibliography for 2020687--2020688.cif. |
2020688.cif 2020688.hkl |
| 188984 | 2016-12-07 | cif/ hkl/ Adding structures of 2020687, 2020688 via cif-deposit CGI script. |
2020688.cif 2020688.hkl |
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Users of the data should acknowledge the original authors of the
structural data.