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Information card for entry 1551789
Preview
| Coordinates | 1551789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H18 N4 O3 S |
|---|---|
| Calculated formula | C14 H18 N4 O3 S |
| SMILES | N(/N=C(C)/c1nccnc1C)S(=O)(=O)c1ccc(cc1)C.O |
| Title of publication | Crystal Structure of N′-(2-Acetyl-3-methylpyrazine)-4-toluene-sulfonylhydrazide |
| Authors of publication | TAI, Xishi; FENG, Yimin; LIANG, Zupei |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 17 |
| a | 7.1172 ± 0.0016 Å |
| b | 15.099 ± 0.002 Å |
| c | 7.5965 ± 0.0018 Å |
| α | 90° |
| β | 97.261 ± 0.002° |
| γ | 90° |
| Cell volume | 809.8 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216401 (current) | 2019-06-20 | cif/ Adding structures of 1551789 via cif-deposit CGI script. |
1551789.cif |
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Users of the data should acknowledge the original authors of the
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