N (1)-(4-Methyl-phen-yl)piperidine-1,4-dicarboxamide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in solid-state chemistry.
• The specific compound, C14H19N3O2, presents an interesting heterocyclic structure for investigation.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C14H19N3O2.
• To characterize the conformational preferences of the heterocycle within the crystal lattice.
• To identify and describe the intermolecular forces governing the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
• Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.
• Intermolecular contacts, including classical hydrogen bonds (N-H⋯O) and weaker C-H⋯O interactions, were systematically analyzed.

Main Results:

• The heterocycle within C14H19N3O2 adopts a specific (1)C4 conformation.
• The nitrogen atom is identified as a key component of the heterocyclic ring, acting as a flap atom.
• A robust three-dimensional network is formed through a combination of classical N-H⋯O hydrogen bonds and C-H⋯O contacts.

Conclusions:

• The crystal structure of C14H19N3O2 is characterized by a defined heterocyclic conformation.
• Intermolecular hydrogen bonding and C-H⋯O contacts play a significant role in organizing the molecules into a stable 3D network.
• This structural insight contributes to the understanding of crystal engineering and solid-state properties of related organic compounds.