Hydrogen bonding in 2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate.
The asymmetric unit of the title compound, C(6)H(9)N(2)OS(2)(+).HSO(4)(-).H(2)O, contains a heterocyclic cation, a hydrogen sulfate anion and a water molecule. There are strong hydrogen bonds between the hydrogen sulfate anions and water molecules, forming an infinite chain along the [010] direction, from which the cations are pendent. The steric, electronic and geometric features are compared with those of similar compounds. In this way, structural relationships are stated in terms of the influence of the sulfate group on the protonation of the heterocycle and on the tautomeric equilibrium in the solid state.
Corrêa
Rodrigo S
RS
Laboratório de Cristalografia, Departamento de Ciências Exatas, Universidade Federal de Alfenas-Unifal-MG, Rua Gabriel Monteiro da Silva 714, CEP 37130-000 Alfenas MG, Brazil.
Martins
Felipe T
FT
Ellena
Javier
J
dos Santos
Marcelo H
MH
Doriguetto
Antonio C
AC
D006860:Hydrogen Bonding; D053778:Thiazolidines / Q000737:chemistry*
C531931:2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium; D053778:Thiazolidines