Information card for entry 2233192

Structure parameters

• Chemical name: Methyl 2-{[2-(4,4,5,5-tetramethyl-1,3-dioxyl- 4,5-dihydroimidazol-2-yl)phenyl]oxy}acetate
• Formula: C16 H21 N2 O5
• Calculated formula: C16 H21 N2 O5
• SMILES: COC(=O)COc1ccccc1C1=N(C(C(C)(C)[N]1=O)(C)C)=O
• Title of publication: Methyl 2-{[2-(4,4,5,5-tetramethyl-1,3-dioxyl-4,5-dihydroimidazol-2-yl)phenyl]oxy}acetate
• Authors of publication: Wang, Hai-Bo; Jing, Lin-Lin; Sun, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o217
• a: 11.421 ± 0.006 Å
• b: 7.381 ± 0.004 Å
• c: 19.7 ± 0.011 Å
• α: 90°
• β: 91.832 ± 0.006°
• γ: 90°
• Cell volume: 1659.8 ± 1.6 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: 0.1115
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes