(3R*,4R*,5S*)-4-(4-Methyl-phen-yl)-2,3-diphenyl-7-[(R*)-1-phenyl-ethyl]-1-oxa-2,7-diaza-spiro-[4.5]decan-10-one...

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Intermolecular forces play a significant role in determining the solid-state structure and packing of crystalline compounds.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(34)H(35)N(3)O(2).
• To characterize the conformational preferences of the piperidine and isoxazolidine rings within the crystal lattice.
• To identify and analyze the intermolecular interactions responsible for the observed crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure and crystal packing.
• Conformational analysis was performed on the piperidine and isoxazolidine ring systems.
• Analysis of intermolecular interactions, including hydrogen bonds and C-H···π interactions, was conducted.

Main Results:

• The polysubstituted piperidine ring adopts a chair conformation.
• The isoxazolidine ring adopts an envelope conformation.
• Molecules are arranged in chains along the b-axis through O-H⋯N, C-H⋯O, and C-H⋯N interactions.
• These chains are further cross-linked by weak C-H⋯π interactions.

Conclusions:

• The crystal structure of C(34)H(35)N(3)O(2) has been successfully determined.
• Specific ring conformations and a network of intermolecular interactions dictate the supramolecular assembly in the solid state.
• The findings contribute to the understanding of structure-property relationships in polysubstituted heterocyclic compounds.