(E)-1,2-Bis(1-allyl-benzimidazol-2-yl)ethene
1School of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China.
Summary
The crystal structure of a novel C(22)H(20)N(4) compound reveals nearly coplanar benzimidazole rings. This arrangement, stabilized by pi-pi stacking, offers insights into molecular interactions and crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Benzimidazole derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the solid-state structure of organic compounds is crucial for predicting their properties and designing new materials.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(22)H(20)N(4).
- To investigate the molecular conformation and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- The crystal structure of C(22)H(20)N(4) was successfully determined.
- The two benzimidazole ring systems exhibit near planarity with a dihedral angle of 4.70(5)°.
- An allyl group shows positional disorder over two sites.
- The crystal packing is stabilized by π-π stacking interactions between benzene and imidazole rings (centroid-centroid distance: 3.7885(15) Å).
Conclusions:
- The study provides a detailed structural characterization of the C(22)H(20)N(4) compound.
- The observed near-planar benzimidazole systems and π-π stacking interactions are key features influencing the crystal structure.
- This structural information can guide the design of related compounds with tailored electronic or material properties.
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