Information card for entry 2233215

Structure parameters

• Chemical name: 2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide
• Formula: C15 H21 N2 O5
• Calculated formula: C15 H21 N2 O5
• SMILES: c1(c(cc(cc1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O)O)OCCO
• Title of publication: 2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide
• Authors of publication: Ma, Hui-Ping; Jing, Lin-Lin; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o218
• a: 9.787 ± 0.004 Å
• b: 9.302 ± 0.003 Å
• c: 16.657 ± 0.006 Å
• α: 90°
• β: 93.525 ± 0.003°
• γ: 90°
• Cell volume: 1513.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes