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1-Benzyl-3-[3-(naphthalen-2-yl-oxy)prop-yl]imidazolium hexa-fluoro-phosphate.

ABSTRACT: In the title salt, C(23)H(23)N(2)O(+)·PF(6) (-), the PF(6) (-) anion is highly disordered (occupancy ratios of 0.35:0.35:0.3, 0.7:0.15:0.15, 0.7:0.3 and 0.35:0.35:0.15:0.15) with the four F atoms in the equatorial plane rotating about the axial F-P-F bond. The mean plane of the imidazole ring makes dihedral angles of 82.44?(17) and 14.39?(16)°, respectively, with the mean planes of the benzene ring and the naphthalene ring system. The crystal structure is stabilized by C-H?F hydrogen bonds. In addition, ?-? [centroid-centroid distances = 3.7271?(19)-3.8895?(17)?Å] and C-H?? inter-actions are observed.

SUBMITTER: Huang K 

PROVIDER: S-EPMC3213508 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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1-Benzyl-3-[3-(naphthalen-2-yl-oxy)prop-yl]imidazolium hexa-fluoro-phosphate.

Huang Kun K   Du Bin-Xin BX   Liu Chang-Lu CL  

Acta crystallographica. Section E, Structure reports online 20110716 Pt 8

In the title salt, C(23)H(23)N(2)O(+)·PF(6) (-), the PF(6) (-) anion is highly disordered (occupancy ratios of 0.35:0.35:0.3, 0.7:0.15:0.15, 0.7:0.3 and 0.35:0.35:0.15:0.15) with the four F atoms in the equatorial plane rotating about the axial F-P-F bond. The mean plane of the imidazole ring makes dihedral angles of 82.44 (17) and 14.39 (16)°, respectively, with the mean planes of the benzene ring and the naphthalene ring system. The crystal structure is stabilized by C-H⋯F hydrogen bonds. In a  ...[more]

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