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. 2022 May 20;7(Pt 5):x220525.
doi: 10.1107/S2414314622005259. eCollection 2022 May.

1,1'-Methyl-enebis{4-[(E)-2-(pyridin-4-yl)ethen-yl]pyridinium} dibromide dihydrate

Henry C Neal  1 , Volodymyr V Nesterov  2 , Bradley W Smucker  1
Affiliations

1,1'-Methyl-enebis{4-[(E)-2-(pyridin-4-yl)ethen-yl]pyridinium} dibromide dihydrate

Henry C Neal et al. IUCrdata. .

Abstract

The chevron-shaped cations of the title hydrated salt, C25H22N4 2+·2Br-·2H2O, are arranged in back-to-back alternating directions to form a zigzag ribbon propagating along the [010] direction. Inter-molecular inter-actions comprising these ribbons are π-π inter-actions between the pyridinium and adjacent pyridyl rings, as well as O-H⋯O hydrogen bonding between water molecules and two adjacent pyridyl N atoms. Half of the cation is generated by the mirror plane. The water O atoms, the central C atom and one Br atom are located on this mirror plane while the other Br atom is on a twofold screw axis.

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 disorder omitted for clarity.
Figure 2
Figure 2
Zigzag ribbons composed of back-to-back chevron-shaped cations of the title complex. The distance between N2 and H1D( formula image  − x, 1 − y, formula image  + z) is shown. Ellipsoids at 50% with disorder, bromide ions and some water mol­ecules omitted for clarity.
Figure 3
Figure 3
Ellipsoid (50%) representation of ribbons of cations with bromide ions (brown) and water mol­ecules positioned between them. Ellipsoids at 50% with disorder omitted for clarity.
See this image and copyright information in PMC

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