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Information card for entry 1551747
Preview
| Coordinates | 1551747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H15 N3 O2 S |
|---|---|
| Calculated formula | C10 H15 N3 O2 S |
| SMILES | S(=O)(=O)(N)N1CCN(CC1)c1ccccc1 |
| Title of publication | Crystal Structure of 4-Phenyl-piperazine-1-sulfonamide |
| Authors of publication | BERREDJEM, Malika; BOUASLA, Radia; AOUF, Nour-Eddine; BARBEY, Carole |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2010 |
| Journal volume | 26 |
| Pages of publication | 13 |
| a | 24.1829 ± 0.0007 Å |
| b | 9.5485 ± 0.0003 Å |
| c | 9.7885 ± 0.0002 Å |
| α | 90° |
| β | 92.2337 ± 0.0016° |
| γ | 90° |
| Cell volume | 2258.55 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216359 (current) | 2019-06-20 | cif/ Adding structures of 1551747 via cif-deposit CGI script. |
1551747.cif |
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Users of the data should acknowledge the original authors of the
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