Information card for entry 2214976

Structure parameters

• Common name: 4-tosylsulphonylhydrazine
• Chemical name: 4-Methylbenzenesulfonohydrazide
• Formula: C7 H10 N2 O2 S
• Calculated formula: C7 H10 N2 O2 S
• SMILES: S(=O)(=O)(NN)c1ccc(cc1)C
• Title of publication: <i>p</i>-Tosylhydrazine: a redetermination from single-crystal data at 100 K
• Authors of publication: Saikat Roy; Ashwini Nangia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3696 - o3696
• a: 8.4166 ± 0.0008 Å
• b: 5.6056 ± 0.0005 Å
• c: 17.9484 ± 0.0017 Å
• α: 90°
• β: 100.26 ± 0.001°
• γ: 90°
• Cell volume: 833.27 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes