Bis-(2-hy-droxy-eth-yl)ammonium 2-bromo-phenolate

Area of Science:

• Crystallography
• Materials Science
• Chemical Physics

Background:

• Understanding crystal structures is crucial for predicting material properties.
• Hydrogen bonding plays a significant role in molecular self-assembly and crystal engineering.

Purpose of the Study:

• To elucidate the crystal structure of the 1:1 bis-(2-hydroxy-ethyl)ammonium bromide salt.
• To analyze the hydrogen bonding network and its influence on the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of hydrogen bonding interactions (N-H···O and O-H···O) was performed.

Main Results:

• The crystal structure reveals a 1:1 salt of bis-(2-hydroxy-ethyl)ammonium cation and bromide anion.
• The ammonium cation adopts a syn conformation, and gauche conformations are observed in the hydroxyethyl fragments.
• Extensive hydrogen bonding forms double-ion chains along the [100] direction, further organized into chains parallel to [110].

Conclusions:

• The intricate hydrogen bonding network dictates the supramolecular architecture of the crystal.
• The findings provide valuable data for understanding the solid-state behavior of similar ammonium salts.