Information card for entry 1504251

Structure parameters

• Formula: C13 H20 N2 O3 S
• Calculated formula: C13 H20 N2 O3 S
• SMILES: S(=O)(=O)(N(N)C(=O)CCCCC)c1ccc(cc1)C
• Title of publication: 4-Aminopyridine catalyzed direct and regioselective acylation of N-tosylhydrazide.
• Authors of publication: Namba, Kosuke; Shoji, Isamu; Nishizawa, Mugio; Tanino, Keiji
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4970 - 4973
• a: 22.641 ± 0.004 Å
• b: 5.6658 ± 0.0016 Å
• c: 22.789 ± 0.006 Å
• α: 90°
• β: 85.983 ± 0.011°
• γ: 90°
• Cell volume: 2916.2 ± 1.2 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No