Information card for entry 2240878

Structure parameters

• Chemical name: 4-({5-[(<i>E</i>)-(3,5-Difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl
• Formula: C22 H25 F2 N4 O2
• Calculated formula: C22 H25 F2 N4 O2
• SMILES: Oc1ccc(N=Nc2cc(F)cc(F)c2)cc1/C=N/C1CC([N](=O)C(C1)(C)C)(C)C
• Title of publication: Crystal structure of 4-({5-[(<i>E</i>)-(3,5-difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl
• Authors of publication: Tatsız, Ramazan; Kasumov, Veli T.; Tunc, Tuncay; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 864 - 866
• a: 13.5115 ± 0.0003 Å
• b: 23.1062 ± 0.0005 Å
• c: 13.8677 ± 0.0003 Å
• α: 90°
• β: 100.639 ± 0.003°
• γ: 90°
• Cell volume: 4255.06 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1737
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes