Information card for entry 4024455

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-(1-oxidoquinoxalin-2-yl) -4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl
• Formula: C15 H17 N4 O3
• Calculated formula: C15 H17 N4 O3
• SMILES: O=[N]1C(C)(C)C(N(=O)=C1c1cnc2ccccc2n1=O)(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: 10.803 ± 0.004 Å
• b: 11.128 ± 0.005 Å
• c: 14.44 ± 0.006 Å
• α: 68.789 ± 0.007°
• β: 68.106 ± 0.006°
• γ: 67.542 ± 0.006°
• Cell volume: 1439 ± 1.1 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No