A rare positively charged nicotinic acid di-sulfide: 2,2'-di-thio-dinicotinic acid hydro-chloride monohydrate.

ABSTRACT: The title compound {systematic name: 3-carb-oxy-2-[2-(3-carb-oxy-pyridin-2-yl)disulfan-1-yl)]pyridin-1-ium chloride monohydrate}, C₁₂H₉N₂O₄S₂⁺·Cl^-·H₂O, crystallizes in the triclinic space group P . A pair of 2-mercaptonicotinic acid moieties is connected by a 2,2'-di-sulfide bond with a dihedral angle of 78.79 (3)°. One of the N atom is protonated, as are both carboxyl-ate groups, resulting in an overall +1 charge on the dimer. The structure comprises a zigzagging layer of the dimerized di-thio-dinicotinic acid rings, with charge-balancing chloride ions and water mol-ecules between the layers. Hydrogen bonding between the chloride and water sites with the dimer appears to hold the structure toget

SUBMITTER: Chemey AT 

PROVIDER: S-EPMC6002824 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature