1,3-Bis(2-ethoxy-phen-yl)triazene methanol 0.33-solvate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the intermolecular interactions of organic molecules is crucial for predicting their solid-state properties and designing new materials.
• Triazene derivatives are known for their diverse applications, necessitating detailed structural characterization.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, 1,3-bis-(2-ethoxy-phenyl)triazene, co-crystallized with methanol.
• To identify and characterize the intermolecular interactions, including hydrogen bonding and C-H⋯π interactions, present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Crystal structure analysis involved identifying hydrogen bond donors and acceptors, and analyzing non-covalent interactions.

Main Results:

• The asymmetric unit contains three independent molecules of 1,3-bis-(2-ethoxy-phenyl)triazene and one molecule of methanol.
• Two triazene molecules form a dimer through intermolecular N-H⋯N hydrogen bonds (R2(2)(8) graph set).
• The third triazene molecule interacts with methanol via O-H⋯N and N-H⋯O hydrogen bonds, alongside weak C-H⋯π interactions.

Conclusions:

• The crystal structure reveals a complex network of hydrogen bonding and weaker C-H⋯π interactions governing the molecular arrangement.
• The identified interactions provide a foundation for understanding the solid-state behavior and potential applications of this triazene derivative.