Ethyl 4-(phenyl-sulfon-yl)piperazine-1-carboxyl-ate

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Piperazine derivatives are important scaffolds in medicinal chemistry.
• Understanding the solid-state structure of organic compounds is crucial for predicting their properties.
• Non-classical interactions play a significant role in crystal packing.

Purpose of the Study:

• To determine the crystal structure of the title compound, C13H18N2O4S.
• To analyze the conformation of the piperazine ring.
• To investigate the intermolecular interactions stabilizing the crystal.

Main Methods:

• Single-crystal X-ray diffraction was used to elucidate the molecular structure.
• Crystallographic analysis was performed to determine bond lengths, angles, and conformations.
• Intermolecular interactions were identified and analyzed.

Main Results:

• The piperazine ring was found to adopt a chair conformation.
• The dihedral angle between the piperazine and benzene rings was measured at 73.23(10)°.
• No classical hydrogen bonds were observed; weak C-H⋯π interactions were identified as stabilizing forces.

Conclusions:

• The study provides detailed structural information on the title piperazine derivative.
• The conformational analysis highlights the preferred geometry of the piperazine ring in the solid state.
• The findings emphasize the importance of weak interactions in crystal engineering and material design.