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Information card for entry 1543127
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| Coordinates | 1543127.cif |
|---|---|
| Structure factors | 1543127.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Amino-<i>N</i>-(4-methylpyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate |
|---|---|
| Formula | C15 H20 N4 O3 S |
| Calculated formula | C15 H20 N4 O3 S |
| SMILES | S(=O)(=O)(Nc1nc(ccn1)C)c1ccc(N)cc1.O1CCCC1 |
| Title of publication | Sulfamerazine tetrahydrofuran monosolvate |
| Authors of publication | Hossain, G. M. Golzar |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160596 |
| a | 10.5765 ± 0.0002 Å |
| b | 11.8088 ± 0.0002 Å |
| c | 39.1512 ± 0.0007 Å |
| α | 90° |
| β | 92.618 ± 0.001° |
| γ | 90° |
| Cell volume | 4884.72 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1262 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1413 |
| Weighted residual factors for all reflections included in the refinement | 0.1691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182160 (current) | 2016-04-16 | cif/ hkl/ Adding structures of 1543127 via cif-deposit CGI script. |
1543127.cif 1543127.hkl |
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Users of the data should acknowledge the original authors of the
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