Piperazine-1,4-diium diacetate.

Area of Science:

• Crystallography
• Solid-state chemistry
• Molecular structure

Background:

• Piperazine derivatives are important in various chemical applications.
• Understanding crystal packing and intermolecular forces is crucial for materials science.
• Hydrogen bonding plays a significant role in determining crystal structures.

Purpose of the Study:

• To elucidate the crystal structure of the piperazine-1,4-diium diacetate salt.
• To characterize the symmetry elements and conformations of the cation and anion.
• To investigate the hydrogen bonding network within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Symmetry analysis was performed on the piperazine-1,4-diium cation and acetate anion.
• Intermolecular interactions, specifically hydrogen bonding, were identified and analyzed.

Main Results:

• The piperazine-1,4-diium cation exhibits 2/m symmetry, with the NH(2) group on a mirror plane.
• The acetate anion displays m symmetry, with key atoms located on a mirror plane.
• The piperazine ring adopts a chair conformation.
• N-H⋯O hydrogen bonds link cations and anions into chains along the c axis.

Conclusions:

• The crystal structure of piperazine-1,4-diium diacetate has been successfully determined.
• The study highlights the specific symmetry properties and conformational preferences of the ions.
• The identified hydrogen bonding network provides insight into the supramolecular assembly in the solid state.