Information card for entry 7227609

Structure parameters

• Chemical name: ethyl (E)-4-((2-oxopiperidin-1-yl)diazenyl)benzoate
• Formula: C14 H17 N3 O3
• Calculated formula: C14 H17 N3 O3
• SMILES: c1cc(ccc1/N=N/N1CCCCC1=O)C(=O)OCC
• Title of publication: Oxidation of diazenyl-protected N-heterocycles ‒ a new entry to functionalized lactams
• Authors of publication: Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 9461
• a: 14.7907 ± 0.0003 Å
• b: 7.09 ± 0.0002 Å
• c: 12.8103 ± 0.0003 Å
• α: 90°
• β: 98.877 ± 0.001°
• γ: 90°
• Cell volume: 1327.27 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No