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

Henry C Neal; Volodymyr V Nesterov; Bradley W Smucker

doi:10.1107/S2414314622005259

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

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

Authors

Henry C Neal¹, Volodymyr V Nesterov², Bradley W Smucker¹

Affiliations

¹ Austin College, 900 N Grand, Sherman, TX 75090, USA.
² Department of Chemistry, University of North Texas, 1508 W. Mulberry, Denton, TX, 76201, USA.

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.

Grants and funding

Funding for this research was provided by: National Science Foundation (grant No. 1726652 to UNT; grant No. 1712066 to Austin College); Welch Foundation (grant No. AD-0007 to Austin College).