Information card for entry 2217993

Structure parameters

• Chemical name: 3-[2-(Anilinocarbonyl)ethyl]-1-methyl-1H-imidazolium hexafluorophosphate
• Formula: C13 H16 F6 N3 O P
• Calculated formula: C13 H16 F6 N3 O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C(Nc1ccccc1)CCn1cc[n+](c1)C
• Title of publication: 3-[2-(Anilinocarbonyl)ethyl]-1-methyl-1<i>H</i>-imidazolium hexafluoridophosphate
• Authors of publication: Pei, Wen; Si, Xiaoyang; Ji, Dengxiang; Ji, Jianbing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o721
• a: 9.6414 ± 0.0004 Å
• b: 19.4934 ± 0.001 Å
• c: 8.8402 ± 0.0004 Å
• α: 90°
• β: 103.688 ± 0.0011°
• γ: 90°
• Cell volume: 1614.27 ± 0.13 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes