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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

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2-Phenyl-imidazolium chloride monohydrate.

Dao-Cheng Xia¹, Ji-Huan Yao

¹Yuncheng University, College of Chemistry, Yuncheng 044000, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a hydrated molecular salt, C(9)H(9)N(2) (+)·Cl(-)·H(2)O. Key findings include the dihedral angle between the cation

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Area of Science:

Crystal engineering and supramolecular chemistry.
Solid-state chemistry and molecular structure analysis.

Background:

Understanding the formation and properties of molecular salts is crucial in materials science.
Hydrated salts exhibit unique structural features and intermolecular interactions.

Purpose of the Study:

To elucidate the crystal structure of the hydrated molecular salt C(9)H(9)N(2) (+)·Cl(-)·H(2)O.
To analyze the dihedral angle and hydrogen bonding interactions within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular structure.
Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

Main Results:

The dihedral angle between the five- and six-membered rings in the cation was determined to be 18.00(2)°.
Evidence of O-H⋯Cl, N-H⋯O, and N-H⋯Cl hydrogen bonding interactions was identified.
The crystal structure is stabilized by these hydrogen bonds and electrostatic interactions.

Conclusions:

The crystal structure of the hydrated molecular salt C(9)H(9)N(2) (+)·Cl(-)·H(2)O has been successfully characterized.
The identified hydrogen bonding network plays a significant role in the overall crystal packing and stability.
This research contributes to the understanding of structure-property relationships in hydrated molecular salts.