Crystal structure of 4,4'-diethynylbiphen-yl

Area of Science:

• Crystallography
• Solid-state chemistry
• Organic chemistry

Background:

• Understanding molecular packing and interactions is crucial for predicting material properties.
• The C16H10 compound presents an interesting case for studying non-planar molecular arrangements in crystals.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C16H10.
• To investigate the intermolecular interactions governing the molecular assembly in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of the crystal packing revealed the presence of specific intermolecular interactions.

Main Results:

• The asymmetric unit contains four unique, non-planar C16H10 molecules.
• Benzene rings within the molecules exhibit varying dihedral angles (42.41°, 24.07°, 42.59°, 46.88°).
• A three-dimensional network is formed through weak C-H⋯π(ring) and C-H⋯π(alkyne) interactions, leading to molecular columns along the c-axis.

Conclusions:

• The crystal structure of C16H10 is characterized by non-planar molecular conformations.
• Weak hydrogen bonding and π-π stacking interactions play a significant role in directing the self-assembly of molecules in the solid state.
• The observed network structure provides insights into structure-property relationships for related organic compounds.