Information card for entry 2006967

Structure parameters

• Formula: C14 H16 N2 O4 S2
• Calculated formula: C14 H16 N2 O4 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)NNS(=O)(=O)c1ccc(cc1)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: 15.785 ± 0.001 Å
• b: 10.7397 ± 0.0009 Å
• c: 9.492 ± 0.002 Å
• α: 90°
• β: 90.168 ± 0.01°
• γ: 90°
• Cell volume: 1609.1 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.2 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: 0.082
• Weighted residual factors for significantly intense reflections: 0.121
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No