4-Amino-3,5-di-chloro-pyridinium 3-hy-droxy-pico-linate monohydrate

Area of Science:

• Crystal chemistry
• Supramolecular chemistry
• Solid-state chemistry

Background:

• Understanding the hydrogen bonding interactions and crystal packing of hydrated salts is crucial for predicting their physical and chemical properties.
• Salts containing pyridine derivatives and nitrobenzoate anions are of interest due to their potential applications in materials science.

Purpose of the Study:

• To elucidate the crystal structure of the hydrated salt C5H5Cl2N2+·C6H4NO3-·H2O.
• To characterize the hydrogen bonding network and crystal packing of the title compound.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding interactions (N-H⋯N, O-H⋯O, N-H⋯O, C-H⋯Cl, C-H⋯O) and ring formation (S(6)) was performed.

Main Results:

• The crystal structure reveals a protonated pyridine nitrogen in the cation.
• An intramolecular O-H⋯O hydrogen bond within the anion forms an S(6) ring.
• The crystal packing is characterized by a three-dimensional network formed by multiple hydrogen bonding interactions.

Conclusions:

• The title hydrated salt exhibits complex hydrogen bonding leading to a robust 3D network.
• The observed structural features, including protonation and specific hydrogen bonds, provide insights into the solid-state behavior of this salt.