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Updated: May 24, 2026

Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]-pyridinium benzene-sulfonate mono-hydrate
Abstract:
The asymmetric unit of the title compound, C(17)H(20)NO(3) (+)·C(6)H(5)O(3)S(-)·H(2)O, comprises two 1-methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]pyridinium cations, two benzene-sulfonate anions and two water mol-ecules. The cations exist in the E conformation with respect to the C=C bond; one cation is essentially planar while the other is slightly twisted, the dihedral angles between the pyridinium and phenyl rings being 1.23 (14) and 6.64 (13)°, respectively. In the crystal, cations, anions and water mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions into chains along the b axis. π-π inter-actions with centroid-centroid distances in the range 3.5557 (16)-3.6876 (16) Å are observed. C-H⋯π inter-actions and a C⋯O short contact [2.94 (4) Å] are also observed.
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