Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.

ABSTRACT: The title salt (I), C₆H₈N⁺·C₂₀H₁₇O₈^-, comprises a 2-methyl-pyridinium cation and a 2,3-bis-(4-methyl-benzo-yloxy)succinate mono-anion while the salt (II), 2C₆H₈N⁺·2C₂₀H₁₇O₈^-·5H₂O, consists of a pair of 4-methyl-pyridinium cations and 2,3-bis-(4-methyl-benzo-yloxy)succinate mono-anions and five water mol-ecules of solvation in the asymmetric unit. In (I), the dihedral angle between the aromatic rings of the anion is 40.41?(15)°, comparing with 43.0?(3) and 85.7?(2)° in the conformationally dissimilar anion mol-ecules in (II). The pyridine ring of the cation in (I) is inclined at 23.64?(16) and 42.69?(17)° to the two benzene moieties of the anion. In (II), these comparative values are 4.7?(3), 43.5?(3)° and 43.5?(3), 73.1?(3)° for the two associated cation and anion pairs. The crystal packing of (I) is stabilized by inter-ionic N-H?O, O-H?O and C-H?O hydrogen bonds as well as weak C-H?? inter-actions, linking the ions into infinite chains along [100]. In the crystal packing of (II), the anions and cations are also linked by N-H?O and O-H?O hydrogen bonds involving also the water mol-ecules, giving a two-dimensional network across (001). The crystal structure is also stabilized by weak C-H?O and C-H?? inter-actions.

SUBMITTER: Sivakumar P 

PROVIDER: S-EPMC5730300 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature