2,6-Dimethyl-anilinium chloride monohydrate

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Molecular salts are essential in various chemical applications.
• Understanding hydrogen bonding is key to predicting crystal structures.
• Hydrated salts present unique structural complexities.

Purpose of the Study:

• To elucidate the hydrogen bonding network in a specific hydrated molecular salt.
• To characterize the crystal structure of the title compound.
• To investigate the interactions governing the formation of the 3D network.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular interactions, focusing on hydrogen bonds (N-H⋯O, N-H⋯Cl, O-H⋯Cl).
• Structural characterization of the hydrated molecular salt.

Main Results:

• The hydrated molecular salt, C(8)H(12)N(+)·Cl(-)·H(2)O, was structurally characterized.
• Specific hydrogen bonds, including N-H⋯O, N-H⋯Cl, and O-H⋯Cl, were identified as the primary interactions.
• These interactions facilitate the formation of an extensive three-dimensional network within the crystal lattice.

Conclusions:

• The crystal structure is stabilized by a robust network of hydrogen bonds.
• The identified hydrogen bonding patterns dictate the supramolecular architecture of the hydrated salt.
• This detailed structural understanding contributes to the broader knowledge of hydrogen bonding in crystalline solids.