1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanol

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
• Crystal structure analysis provides fundamental insights into molecular interactions and solid-state behavior.

Purpose of the Study:

• To elucidate the crystal structure of the compound C(10)H(11)N(3)O.
• To investigate the intermolecular interactions, including hydrogen bonding, that govern the compound's solid-state architecture.

Main Methods:

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

Main Results:

• The crystal structure of C(10)H(11)N(3)O was determined, revealing planar five- and six-membered rings.
• A small dihedral angle of 2.52(5)° was observed between these rings.
• Weak C-H⋯O hydrogen bonds formed centrosymmetric dimers, while strong O-H⋯N hydrogen bonds created infinite chains along the b axis.

Conclusions:

• The crystal packing of C(10)H(11)N(3)O is dictated by a combination of ring orientation and specific hydrogen bonding networks.
• The identified hydrogen bonding motifs suggest potential for supramolecular assembly and influence on material properties.