Information card for entry 2221608

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-[4-(2-pyridyl)phenyl]-3,4-dihydroimidazole-1-oxyl-3-oxide
• Formula: C18 H20 N3 O2
• Calculated formula: C18 H20 N3 O2
• SMILES: c1(c2ccc(C3=N(C(C(C)(C)[N]3=O)(C)C)=O)cc2)ccccn1
• Title of publication: 4,4,5,5-Tetramethyl-2-[4-(2-pyridyl)phenyl]-3,4-dihydroimidazole-1-oxyl-3-oxide
• Authors of publication: Qin, Xiang-Yang; Wang, Ping-An; Sun, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1031
• a: 8.515 ± 0.0017 Å
• b: 22.286 ± 0.005 Å
• c: 9.136 ± 0.0018 Å
• α: 90°
• β: 109.45 ± 0.03°
• γ: 90°
• Cell volume: 1634.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1187
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes