Crystal structure of 1-(piperidin-1-yl)butane-1,3-dione

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Understanding the conformational preferences and intermolecular interactions of organic molecules is crucial for predicting their physical and chemical properties.
• The piperidine ring and butane-dione moieties are common structural motifs in various biologically active compounds and materials.

Purpose of the Study:

• To elucidate the detailed molecular structure and solid-state arrangement of the title compound (C9H15NO2).
• To investigate the specific conformations adopted by the piperidine ring and the butane-dione subunit.
• To characterize the hydrogen bonding network responsible for the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Conformational analysis was performed on the piperidine ring and the butane-dione subunit.
• Analysis of intermolecular interactions, specifically hydrogen bonds (C-H⋯O), was conducted.

Main Results:

• The piperidine ring was found to adopt a chair conformation.
• The butane-dione subunit exhibited a conformation with the ketone carbon eclipsed to the amide carbonyl group.
• A two-dimensional layered crystal structure was observed, stabilized by bifurcated C-H⋯O hydrogen bonds.

Conclusions:

• The study provides a precise structural characterization of C9H15NO2, highlighting its specific conformational features.
• The identified hydrogen bonding pattern explains the formation of a layered arrangement in the crystal lattice.
• This detailed structural information can serve as a basis for further studies on related compounds and their potential applications.