2,5-Dimethyl-anilinium chloride monohydrate.

Area of Science:

• Crystallography
• Materials Science
• Chemical Physics

Background:

• Understanding intermolecular forces is crucial for predicting material properties.
• Hydrogen bonding plays a significant role in the self-assembly and structural organization of crystalline solids.
• The specific arrangement of molecules in a crystal lattice influences its physical and chemical behavior.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(8)H(12)N(+)·Cl(-)·H(2)O.
• To identify and analyze the hydrogen bonding interactions present in the crystal lattice.
• To describe the resulting network architecture and its propagation direction.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
• Crystal structure analysis was performed to identify hydrogen bond donors and acceptors.
• Analysis of bond distances and angles confirmed the hydrogen bonding interactions (O-H⋯Cl, N-H⋯Cl, N-H⋯O).

Main Results:

• The crystal structure of C(8)H(12)N(+)·Cl(-)·H(2)O was successfully determined.
• Multiple hydrogen bonds, specifically O-H⋯Cl, N-H⋯Cl, and N-H⋯O, were identified as key intermolecular forces.
• These interactions lead to the formation of a two-dimensional network structure propagating along the (001) direction.

Conclusions:

• The crystal packing of the title compound is dominated by a network of hydrogen bonds.
• The identified hydrogen bonding network results in a stable two-dimensional supramolecular architecture.
• This structural understanding provides insights into the solid-state behavior and potential applications of the compound.