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. 2022 Mar 10;7(Pt 3):x220248.
doi: 10.1107/S2414314622002486. eCollection 2022 Mar.

1-(2-Methyl-phen-yl)-4,4'-bipyridin-1-ium tetra-fluorido-borate

Claire E Welton  1 , Vladimir N Nesterov  2 , Bradley W Smucker  1
Affiliations

1-(2-Methyl-phen-yl)-4,4'-bipyridin-1-ium tetra-fluorido-borate

Claire E Welton et al. IUCrdata. .

Abstract

Crystals of the title compound, C17H15N2 +·BF4 -, were unexpectedly grown from crystallization attempts of [Pt(4,4'-bpy)4](BF4)2 [Smith et al. (2019 ▸). Comments Inorg. Chem. 39, 188-215] using toluene and aceto-nitrile. The tetra-fluoro-borate anion and the central pyridinium ring of the cation are disordered, with atomic site occupancies close to ½. The tolyl group of the cation has a 75.31 (11)° twist relative to the unsubstituted pyridyl group. This rotation allows for a centrosymmetric dimer of cations with weak hydrogen bonding between the pyridyl nitro-gen atom and a methyl H atom on the neighbouring cation.

Keywords: bipyridinium; crystal structure; hydrogen bond.

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Figures

Figure 1
Figure 1
Ellipsoid (50% probability level) representation of the cation with disordered atoms omitted for clarity.
Figure 2
Figure 2
Ellipsoid (50% probability level) representation of the packing of the cations with the distances (Å) between the ring centroids of pyridyl-tolyl groups, N1⋯H10(− formula image  + x, formula image  − y, − formula image  + z), H17A⋯N1(1 − x, 2 − y, 1 − z), and C9⋯C1(1 − x, 2 − y, 1 − z). Disordered atoms are omitted.
See this image and copyright information in PMC

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