Information card for entry 2202691

Structure parameters

• Formula: C12 H16 N3 O2
• Calculated formula: C12 H16 N3 O2
• SMILES: c1cc(C2=N(=O)C(C(C)(C)[N]2=O)(C)C)ccn1
• Title of publication: 4,4,5,5-Tetramethyl-2-(<i>p</i>-pyridyl)imidazoline-1-oxyl 3-oxide
• Authors of publication: Qihua Zhao; Xiaofeng Wang; Ruibin Fang; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1231 - o1232
• a: 11.0922 ± 0.0005 Å
• b: 10.3891 ± 0.0005 Å
• c: 10.8714 ± 0.0006 Å
• α: 90°
• β: 107.632 ± 0.002°
• γ: 90°
• Cell volume: 1193.94 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes