1-Chloro-2-(4-phenyl-piperazin-1-yl)ethanone

Area of Science:

• Organic Chemistry
• Crystallography
• Materials Science

Background:

• Piperazine derivatives are crucial scaffolds in medicinal chemistry and agrochemicals.
• Understanding the structural and intermolecular properties of novel compounds is essential for their application.
• The specific compound C(12)H(15)ClN(2)O was synthesized and characterized.

Purpose of the Study:

• To elucidate the crystal structure of the title piperazine derivative.
• To identify the intermolecular interactions stabilizing the crystal lattice.
• To assess the potential utility of this compound as a starting material in pharmaceutical and agrochemical synthesis.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular interactions including hydrogen bonds and pi-stacking was performed.
• The chemical formula C(12)H(15)ClN(2)O was confirmed.

Main Results:

• The crystal structure of C(12)H(15)ClN(2)O was successfully determined.
• Key stabilizing interactions identified include C-H⋯O hydrogen bonds, C-H⋯π interactions, and π-π stacking.
• The π-π stacking interactions were quantified with a centroid-centroid distance of 4.760(2) Å.

Conclusions:

• The title compound, a piperazine derivative, possesses a well-defined crystal structure stabilized by significant intermolecular forces.
• These structural characteristics suggest its viability as a versatile starting material for the synthesis of new pharmaceutical agents and agrochemicals.
• Further research into its synthetic applications is warranted based on its structural attributes.