Affiliations 

  • 1 Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand
  • 2 X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
Acta Crystallogr Sect E Struct Rep Online, 2013 Oct 9;69(Pt 11):o1623-4.
PMID: 24454073 DOI: 10.1107/S1600536813027244

Abstract

In the title hydrated salt, C15H16NO2 (+)·C6H4BrO3S(-)·H2O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The meth-oxy substituent deviates slightly from the plane of its attached benzene ring [Cmeth-yl-O-C-C torsion angle = -11.6 (6)°]. In the crystal, the cations, anion and water mol-ecules are linked together into chains along [010] by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. There is a short Br⋯O contact [3.029 (2) Å]. The crystal structure also features C-H⋯π inter-actions involving the benzene ring of the anion.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.