Morpholin-4-ium 4-meth-oxy-benzoate 4-meth-oxy-benzoic acid monohydrate

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding the intermolecular interactions in crystalline solids is crucial for predicting material properties.
• Hydrogen bonding plays a significant role in the self-assembly and structural organization of molecular crystals.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(4)H(10)NO(+)·C(8)H(7)O(3) (-)·C(8)H(8)O(3)·H(2)O.
• To investigate the hydrogen bonding network and molecular arrangement within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of intermolecular contacts, including hydrogen bonds (N-H⋯O and O-H⋯O), was performed.

Main Results:

• The crystal structure consists of cations, anions, and neutral molecules.
• Chains running parallel to the c axis were formed through intermolecular N-H⋯O and O-H⋯O hydrogen bonds.
• Dihedral angles of the carboxylate groups relative to the aromatic ring were quantified for both the acid and anion components.

Conclusions:

• The hydrogen bonding network dictates the formation of one-dimensional chains in the crystal structure.
• The observed dihedral angles provide insights into the conformational preferences of the 4-methoxybenzoic acid and 4-methoxybenzoate moieties within the crystal.