Ethyl 1-(2-bromo-propano-yl)-4-hydr-oxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxylate

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular structure and interactions is crucial in chemistry.
• Crystal structure analysis provides detailed insights into chemical compounds.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(23)H(24)BrNO(4).
• To investigate molecular conformations and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed.
• Analysis of crystallographic data to determine atomic positions and bonding.

Main Results:

• The compound C(23)H(24)BrNO(4) crystallizes with two independent molecules.
• Disordered ethoxy-carbonyl methyl groups were observed in both molecules.
• Distinct conformations (half-chair and distorted envelope) were found for the tetra-hydro-pyridine rings.
• Intramolecular O-H⋯O hydrogen bonds formed S(6) ring motifs.
• Intermolecular C-H⋯O hydrogen bonds resulted in a chain structure along the c axis.

Conclusions:

• The crystal structure reveals complex molecular arrangements and disorder.
• Hydrogen bonding plays a significant role in the self-assembly of these molecules.
• The findings contribute to the understanding of structure-property relationships in organic compounds.