1,4-Bis(piperidin-1-ylcarbon-yl)benzene

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Synthesis of novel organic compounds is crucial for materials science and drug discovery.
• Understanding molecular conformation impacts chemical properties and reactivity.
• Crystallographic studies provide precise atomic-level structural information.

Purpose of the Study:

• To synthesize and characterize a new organic compound with the molecular formula C(18)H(20)N(2)O(2).
• To elucidate the crystal structure and molecular geometry of the synthesized compound.
• To investigate the conformational aspects of the dehydro-piperidine ring within the crystal lattice.

Main Methods:

• Chemical synthesis involving the reaction of terephthaloyl chloride and 1,2,3,6-tetra-hydro-pyridine.
• Single-crystal X-ray diffraction for detailed crystallographic analysis.
• Analysis of molecular symmetry and ring conformations.

Main Results:

• Successful synthesis of the target compound C(18)H(20)N(2)O(2).
• The compound crystallizes in a centrosymmetric manner, with the asymmetric unit containing half a molecule.
• The dehydro-piperidine ring adopts an envelope conformation.
• The amide carbonyl group is significantly twisted out of the plane of the benzene ring (57.3°).

Conclusions:

• The study reports the synthesis and definitive crystal structure of a novel organic compound.
• The observed molecular conformation provides insights into the stereochemistry of related heterocyclic systems.
• This structural data can serve as a reference for computational studies and further synthetic modifications.