Phenyl bis-(morpholin-4-yl-amido)-phosphinate

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the precise three-dimensional arrangement of atoms in novel compounds is crucial for predicting their chemical behavior and potential applications.
• Phosphonamide derivatives represent a class of molecules with diverse biological and material science interests.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(14)H(23)N(4)O(4)P.
• To analyze the coordination environment around the phosphorus atom and the conformations of the morpholinyl and phenyl groups.
• To investigate intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and torsion angles provided insights into the molecular geometry.
• Identification and analysis of intermolecular hydrogen bonds were performed.

Main Results:

• The phosphorus atom exhibits a distorted tetrahedral geometry with observed bond angles ranging from 96.87(6)° to 119.86(6)°.
• Both morpholinyl substituents adopt a chair conformation.
• The phenyl ring displays positional disorder, with equal occupancies for two distinct sites.
• Adjacent molecules are interconnected by N-H⋯O hydrogen bonds, forming an extended chain structure parallel to the crystallographic a axis.

Conclusions:

• The crystal structure of C(14)H(23)N(4)O(4)P has been successfully determined, revealing key aspects of its solid-state organization.
• The observed structural features, including the distorted phosphorus environment and hydrogen-bonding network, provide a foundation for understanding its chemical properties.
• This structural data is valuable for future research involving phosphonamide compounds and their applications.