2-p-Tolyl-4,5-dihydro-1H-imidazole
Summary
The crystal structure of C(10)H(12)N(2) reveals nearly co-planar rings. Molecules form 1D chains via hydrogen bonds, stabilized by pi-stacking interactions.
Area of Science:
- Crystallography
- Molecular Structure
- Supramolecular Chemistry
Background:
- Understanding molecular arrangements is key in materials science.
- Hydrogen bonding and pi-stacking are crucial non-covalent interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(10)H(12)N(2).
- To identify and characterize the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of hydrogen bonding (N-H...N).
- Assessment of pi-pi stacking and C-H...pi interactions.
Main Results:
- The molecule exhibits nearly co-planar six- and five-membered rings with a dihedral angle of 3.56(8)°.
- Molecules self-assemble into one-dimensional infinite chains along the c-axis through intermolecular N-H...N hydrogen bonds.
- Crystal structure is further stabilized by weak intermolecular C-H...pi interactions and pi-pi stacking (centroid-centroid distance = 3.8892(9) Å).
Conclusions:
- The crystal packing of C(10)H(12)N(2) is dictated by a combination of hydrogen bonding and weaker non-covalent interactions.
- The observed 1D chain formation highlights the role of specific intermolecular forces in directing supramolecular assembly.
