2,4-Bis(morpholin-4-yl)-6-phen-oxy-1,3,5-triazine

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Triazine derivatives and morpholine moieties are common scaffolds in medicinal chemistry and materials science.

Purpose of the Study:

• To elucidate the precise molecular structure and conformation of the title compound, C(17)H(21)N(5)O(3).
• To provide detailed crystallographic data for this specific organic molecule.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• The crystal structure was analyzed to identify bond lengths, bond angles, dihedral angles, and intermolecular interactions.

Main Results:

• The dihedral angle between the triazine and phenyl rings was determined to be 80.31(11)°.
• One morpholine ring exhibited disorder across two orientations with site occupancies of 0.762(10) and 0.238(10).
• Both morpholine rings adopted chair conformations in the solid state.

Conclusions:

• The crystallographic analysis provides a definitive structural characterization of C(17)H(21)N(5)O(3).
• The observed molecular geometry, including the dihedral angle and morpholine ring conformations, offers insights into the molecule's potential chemical behavior and interactions.