4,4'-Bis(1,2,4-triazol-1-ylmeth-yl)biphen-yl

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• The study focuses on the structural characterization of a specific organic compound.
• Understanding molecular symmetry and intermolecular interactions is crucial in crystal engineering.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(18)H(16)N(6).
• To analyze the molecular symmetry and intermolecular forces governing the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and intermolecular interactions (hydrogen bonds) was performed.

Main Results:

• The complete molecule was found to be generated by crystallographic inversion symmetry.
• A significant dihedral angle of 84.1° was observed between the benzene and triazole rings.
• The crystal structure is stabilized by weak C-H⋯N hydrogen bonds.

Conclusions:

• The title compound C(18)H(16)N(6) crystallizes with notable molecular symmetry.
• The observed dihedral angle and hydrogen bonding patterns provide insights into the compound's solid-state behavior.
• This structural information is valuable for predicting and designing related organic materials.