Information card for entry 4024451

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl
• Formula: C11 H15 N4 O3
• Calculated formula: C11 H15 N4 O3
• SMILES: [N]1(=O)C(C)(C)C(N(=O)=C1c1[n](=O)ccnc1)(C)C
• Title of publication: SNH Approach in the Synthesis of Nitronyl Nitroxides
• Authors of publication: Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2870 - 2872
• a: 10.644 ± 0.002 Å
• b: 14.876 ± 0.003 Å
• c: 15.388 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2436.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No