Information card for entry 4022758

Structure parameters

• Formula: C9 H11 N3 O4 S
• Calculated formula: C9 H11 N3 O4 S
• SMILES: O=N(=O)c1c(S(=O)(=O)NN=C(C)C)cccc1
• Title of publication: N-Isopropylidene-N'-2-nitrobenzenesulfonyl Hydrazine, a Reagent for Reduction of Alcohols via the Corresponding Monoalkyl Diazenes
• Authors of publication: Mohammad Movassaghi; Omar K. Ahmad
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1838 - 1841
• a: 8.1746 ± 0.0003 Å
• b: 15.193 ± 0.0005 Å
• c: 9.8516 ± 0.0003 Å
• α: 90°
• β: 107.469 ± 0.001°
• γ: 90°
• Cell volume: 1167.11 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No