1. 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate
- Author
-
Wolfgang Imhof, Katharina Heintz, and Helmar Görls
- Subjects
crystal structure ,Oxide ,Protonation ,hydrobromide ,Crystal structure ,010402 general chemistry ,01 natural sciences ,Research Communications ,Ion ,chemistry.chemical_compound ,Bromide ,Moiety ,General Materials Science ,bipyridine oxide ,hydrate ,bipyridine oxide ,Crystallography ,010405 organic chemistry ,Hydrogen bond ,General Chemistry ,Condensed Matter Physics ,0104 chemical sciences ,chemistry ,QD901-999 ,hydrobromide ,Hydrate - Abstract
Structural disorder is observed due to the fact that protonation, as well as oxidation, of the N atoms of 2,2′-bipyridine occurs either at either of the N atoms. The disorder extends to the remainder of the cation, with a refined occupancy rate of 0.717 (4) for the major moiety., The title compound 2,2′-bipyridin-1′-ium 1-oxide bromide crystallizes as a monohydrate, C10H9N2 +·Br−·H2O. Structural disorder is observed due to the fact that protonation, as well as oxidation, of the N atoms of 2,2′-bipyridine occurs at either of the N atoms. The disorder extends to the remainder of the cation, with a refined occupancy rate of 0.717 (4) for the major moiety. An intramolecular N—H⋯O hydrogen bond forces the bipyridine unit into an s-cis conformation. Each pair of neighbouring 2,2′-bipyridin-1′-ium ions forms a dimeric aggregate by hydrogen bonds between their respective N—O and the N—H functions. These dimers and hydrogen-bonding interactions with bromide ions and the water molecule give rise to a complex supramolecular arrangement.
- Published
- 2018