Information card for entry 2211680

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-(4-pyridyl)imidazolin-1-oxyl 3-oxide
• Authors of publication: Chen-Xi Zhang; Yu-Ying Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5666 - o5667
• a: 11.205 ± 0.007 Å
• b: 10.452 ± 0.007 Å
• c: 11.031 ± 0.008 Å
• α: 90°
• β: 108.051 ± 0.011°
• γ: 90°
• Cell volume: 1228.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.157
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes