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. 2022 May 20;7(Pt 5):x220526.
doi: 10.1107/S2414314622005260. eCollection 2022 May.

1,1'-Methyl-enebis(4,4'-bipyridin-1-ium) dibromide

Sara A Schuster  1 , Volodymyr V Nesterov  2 , Bradley W Smucker  1
Affiliations

1,1'-Methyl-enebis(4,4'-bipyridin-1-ium) dibromide

Sara A Schuster et al. IUCrdata. .

Abstract

The asymmetric unit of the title salt, C21H18N4 2+·2Br-, comprises half of the mol-ecule and a bromide ion. The chevron-shaped cations stack as columns in the [001] direction with suitable inter-molecular distance for π-π inter-actions. These cationic columns are further stabilized by inter-columnar C-H⋯N hydrogen bonding with the bromide ions distributed between them.

Keywords: crystal structure; hydrogen bonding; pyridinium; π–π inter­actions.

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Figures

Figure 1
Figure 1
Ellipsoid (50%) representation of the title complex with the cation expanded by symmetry.
Figure 2
Figure 2
Ellipsoid (50%) representation of the columnar stacking of the cations with distance between C5 and C8(x, y, z + 1) shown. Bromide ions are omitted for clarity.
Figure 3
Figure 3
View down the crystallographic c axis showing the distribution of bromide ions (brown) between the columns of cations. Cell axes shown with ellipsoid (50%) representation.
Figure 4
Figure 4
Ellipsoid (50%) representation of the inter-columnar N⋯H distances between H3 and H11 atoms of the bipyridinium and the N2(− formula image  + x, formula image  − y, formula image  + z) atom on the terminal pyridyl ring. Bromide ions are omitted for clarity.
See this image and copyright information in PMC

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