Abstract
N,N′-dicyclohexylimidazolium hexafluorophosphate was prepared and its structure was determined by X-ray diffraction. The compound crystallizes in the orthorhombic space group Pbca, with the cell dimensions of a = 14.620(3) Å, b = 15.097(3) Å, c = 16.128(3) Å, V = 3559.4(12) Å3, and D calc. = 1.412 mg/m3 for Z = 8. The structure was solved by direct methods and refined to R value of 0.041. In the solid state, PF6 − anion and imidazolium cation form strong hydrogen bonds, which fix the relative orientation between cations and anions.
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Welton, T. Chem. Rev. 1999, 99, 2071.
Bourissou, D.; Guerret, O.; Gabbai, F.P.; Bertrand, G. Chem. Rev. 2000, 100, 39.
Park, S.; Kazlauskas, R.J. J. Org. Chem. 2001, 66, 8395.
Ren, R.X.; Wu, J.X. Org. Lett. 2001, 3, 3727.
Mathews, C.J.; Smith, P.J.; Welton, T.; White, A.J.P.; Williams, D.J. Organometallics 2001, 20, 3848.
McGuinness, D.S.; Cavell, K.J. Organometallics 2000, 19, 741.
Xu, L.; Chen, W.; Xiao, J. Organometallics 2000, 19, 1123.
Hasan, M.; Kozhevnikov, I.V.M.; Siddiqui, R.H.; Steiner, A.; Winterton, N. Inorg. Chem. 1999, 38, 5637.
Herrmann, W.A.; KÖcher, C.; Goosen, L.; Artus, G.R.J. Chem. Eur. J. 1996, 2, 1627.
Herrmann, W.A.; Ellison, M.; KÖcher, C.; Artus, G.R.J. Chem. Eur. J. 1996, 2, 772.
SMART-CCD Software, Version 4.05; Siemens Analytical X-ray Instruments Inc.: Madison, WI, 1996.
Sheldrick, G.M. Acta Crystallogr. A 1990, 46, 467.
Sheldrick, G.M. SHELXL97, Program for the Refinement of Crystal Structures; University of GÖttingen: GÖttingen, Germany, 1997.
Herrmann, W.A.; Gerstberger, G.; Spiegler, M. Organometallics 1997, 16, 2209.
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Liu, F., Chen, W. & You, X. Synthesis and crystal structure of N,N′-dicyclohexylimidazolium hexafluorophosphate. Journal of Chemical Crystallography 32, 27–31 (2002). https://doi.org/10.1023/A:1015640221833
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DOI: https://doi.org/10.1023/A:1015640221833