4-Meth-oxy-quinolinium-2-carboxyl-ate dihydrate

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Quinoline derivatives are important in medicinal chemistry and materials science.
• Understanding the solid-state structure of organic molecules is crucial for predicting their properties.
• Zwitterionic forms can exhibit unique physical and chemical characteristics.

Purpose of the Study:

• To elucidate the crystal structure of the hydrated quinoline derivative C(11)H(9)NO(3)·2H(2)O.
• To investigate the hydrogen bonding network and supramolecular assembly in the solid state.
• To characterize the zwitterionic nature and planarity of the quinoline ring.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, angles, and intermolecular interactions (hydrogen bonds).
• Identification of crystal packing motifs and supramolecular architectures.

Main Results:

• The compound crystallizes as a zwitterion with a protonated quinoline nitrogen atom.
• An intramolecular N-H⋯O hydrogen bond forms an S(5) ring motif within the zwitterion.
• Extensive intermolecular hydrogen bonds (N-H⋯O, C-H⋯O, O-H⋯O) lead to the formation of inversion dimers, supramolecular chains, and ladder-like ribbons.

Conclusions:

• The crystal structure reveals a stable zwitterionic form of the quinoline derivative stabilized by a rich hydrogen bonding network.
• The observed supramolecular assembly into chains and ribbons suggests potential for ordered material properties.
• This detailed structural analysis provides a foundation for further studies on the physical and chemical behavior of this quinoline derivative.