Abstract
The title compound, C 16 H 20 N 2 2+ ·2Br - ·H 2 O (1) is a member of the class of compounds called viologens. Viologens are quaternary salts of dipyridyls and are especially useful as redox indicators as a result of their large negative one-electron reduction potentials. Compound 1 consists of a dication composed of a pair of 4-methylpyridine rings mutually joined at the 2-position, with a dihedral angle between the pyridine rings of 62.35 (4)°. In addition, the rings are tethered via the pyridine nitrogen atoms by a tetramethylene bridge. Charge balance is provided by a pair of bromide anions, which are hydrogen bonded to a single water molecule [D O⋯Br = 3.3670 (15) and 3.3856 (15) Å]. The crystal structure of 1, details of an improved synthesis, and a full analysis of its NMR spectra are presented.
| Original language | English |
|---|---|
| Pages (from-to) | 1467-1471 |
| Number of pages | 5 |
| Journal | Acta Crystallographica Section E: Crystallographic Communications |
| Volume | 76 |
| DOIs | |
| State | Published - Sep 1 2020 |
Bibliographical note
Publisher Copyright:© 2020 International Union of Crystallography. All rights reserved.
Funding
Funding for this research was provided by: NSF (grant No. CHE1625732 to Sean Parkin). The D8 Venture diffractometer was funded by the NSF (MRI CHE1625732), and by the University of Kentucky.
| Funders | Funder number |
|---|---|
| National Science Foundation (NSF) | CHE1625732, MRI CHE1625732 |
| University of Kentucky |
Keywords
- atropisomer
- crystal structure
- synthesis
- viologen
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics