Information card for entry 2006968

Structure parameters

• Formula: C12 H16 N2 O2 S
• Calculated formula: C12 H16 N2 O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)NN=C1CCCC1
• Title of publication: Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone
• Authors of publication: 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: 63 - 66
• a: 8.268 ± 0.001 Å
• b: 8.483 ± 0.001 Å
• c: 10.802 ± 0.002 Å
• α: 108.85 ± 0.02°
• β: 101.33 ± 0.02°
• γ: 111.43 ± 0.01°
• Cell volume: 623.4 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0583
• Goodness-of-fit parameter for significantly intense reflections: 2.656
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No