4-(2-Azaniumyl-eth-yl)piperazin-1-ium bis(perchlorate)

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Piperazine derivatives are important in medicinal chemistry.
• Understanding molecular conformation and intermolecular interactions is key to material design.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(6)H(17)N(3) (2+)·2ClO(4) (-).
• To investigate the conformational preferences of the piperazine ring and the ethyl-ammonium substituent.
• To analyze the intermolecular interactions, including hydrogen bonding, within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Conformational analysis was performed on the piperazine ring and its substituents.
• Intermolecular interactions were identified and characterized using hydrogen bond analysis.

Main Results:

• The piperazine ring adopts a chair conformation.
• The ethyl-ammonium fragment is in an equatorial position.
• A three-dimensional supramolecular network is formed through N-H⋯O and C-H⋯O hydrogen bonding between dications and perchlorate anions.

Conclusions:

• The study provides detailed structural insights into a piperazine derivative.
• The observed conformation and hydrogen bonding patterns influence the overall crystal packing.
• This structural information can be valuable for the design of novel materials and pharmaceuticals.