2,5-Bis(4-meth-oxy-phen-yl)-1,3,4-oxadiazole

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.
• The 1,3,4-oxadiazole scaffold is a common motif in medicinal chemistry and materials science.
• Detailed crystallographic analysis provides fundamental insights into molecular structure and intermolecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(16)H(14)N(2)O(3).
• To analyze the dihedral angles between the 1,3,4-oxadiazole ring and the two benzene rings.
• To identify and characterize intermolecular interactions stabilizing the crystal.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
• Identification of intermolecular interactions such as C⋯O and C-H⋯π contacts was performed.

Main Results:

• The 1,3,4-oxadiazole ring was found to be essentially planar with minor deviations.
• Dihedral angles revealed the relative orientation of the oxadiazole and benzene rings (8.06°, 11.21°, and 11.66°).
• Short intermolecular C⋯O interactions (2.9968 Å) were observed, forming chains, alongside weak C-H⋯π interactions.

Conclusions:

• The crystal structure of C(16)H(14)N(2)O(3) has been successfully determined.
• The specific arrangement and interactions dictate the packing and stability of the crystal lattice.
• This structural information serves as a foundation for further studies on related compounds and their applications.