3-Oxo-3-(piperidin-1-yl)propane-nitrile

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Piperidine derivatives are important in medicinal chemistry.
• Understanding molecular conformation and intermolecular interactions is crucial for predicting chemical properties and designing new compounds.

Purpose of the Study:

• To elucidate the precise three-dimensional molecular structure of the title compound, C(8)H(12)N(2)O.
• To investigate the intermolecular interactions and crystal packing of the compound.

Main Methods:

• Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
• Analysis of the piperidine ring conformation and dihedral angles between molecular fragments.
• Identification of hydrogen bonding interactions and their role in crystal assembly.

Main Results:

• The piperidine ring adopts a chair conformation.
• A dihedral angle of 32.88(12)° was measured between the piperidine ring plane and the propane-nitrile unit.
• Molecules are interconnected by C-H⋯O hydrogen bonds, forming one-dimensional chains along the [001] crystallographic direction.

Conclusions:

• The study provides a detailed structural characterization of the title compound.
• The identified hydrogen bonding network explains the observed crystal packing and supramolecular assembly.
• This structural information can be valuable for further research involving similar piperidine derivatives.