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Information card for entry 2006966
Preview
| Coordinates | 2006966.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H18 N2 O2 S |
|---|---|
| Calculated formula | C13 H18 N2 O2 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1(C)C)C |
| Title of publication | By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide |
| Authors of publication | Charles R. Ojala; William H. Ojala; William B. Gleason |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 60 - 63 |
| a | 8.544 ± 0.002 Å |
| b | 9.308 ± 0.001 Å |
| c | 16.603 ± 0.002 Å |
| α | 90° |
| β | 98.21 ± 0.01° |
| γ | 90° |
| Cell volume | 1306.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.2 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 significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Goodness-of-fit parameter for significantly intense reflections | 1.62 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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