Information card for entry 2220365

Structure parameters

• Chemical name: 1-{2-[(2-Hydroxybenzylidene)amino]ethyl}-3-methylimidazol-3-ium hexafluorophosphate
• Formula: C13 H16 F6 N3 O P
• Calculated formula: C13 H16 F6 N3 O P
• SMILES: c1(ccccc1/C=N/CCn1cc[n+](c1)C)O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1-{2-[(2-hydroxybenzylidene)-amino]-ethyl}-3-methyl-3<i>H</i>-imidazolium hexafluorophosphate
• Authors of publication: Li, Bin; Li, Yi-Qun; Cai, Yue-Peng; Zhou, Mei-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2365
• a: 28.239 ± 0.015 Å
• b: 7.134 ± 0.004 Å
• c: 18.017 ± 0.009 Å
• α: 90°
• β: 118.342 ± 0.006°
• γ: 90°
• Cell volume: 3195 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.101
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes