Information card for entry 2006964

Structure parameters

• Formula: C10 H14 N2 O2 S
• Calculated formula: C10 H14 N2 O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)NN=C(C)C
• Title of publication: Conformational Polymorphs of Acetone Tosylhydrazone
• Authors of publication: Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 57 - 60
• a: 8.115 ± 0.001 Å
• b: 8.271 ± 0.001 Å
• c: 10.035 ± 0.002 Å
• α: 76.28 ± 0.01°
• β: 79.13 ± 0.01°
• γ: 61.79 ± 0.01°
• Cell volume: 574.3 ± 0.16 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: 0.04
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 3.166
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No