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Updated: May 31, 2026
09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
1,3-Bis[(1H-benzotriazol-1-yl)meth-yl]-2,3-dihydro-1H-benzimidazole
Summary
This study details the molecular structure of a novel compound, C(21)H(18)N(8), highlighting the anti positioning of its benzotriazol-1-yl)methyl groups. Crystal packing analysis revealed stabilization through C-H⋯π interactions.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Benzimidazoline derivatives are important scaffolds in medicinal chemistry.
- Benzotriazole moieties are frequently incorporated into organic molecules for their unique electronic and structural properties.
Purpose of the Study:
- To elucidate the crystal structure and molecular geometry of the title compound, C(21)H(18)N(8).
- To investigate the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of dihedral angles and intermolecular contacts (C-H⋯π interactions) was performed.
Main Results:
- The compound C(21)H(18)N(8) was synthesized and characterized.
- The two (benzotriazol-1-yl)methyl groups were found in an anti configuration relative to the benzimidazoline core.
- Significant dihedral angles of 57.03° and 81.01° were observed between the benzotriazole and benzimidazoline ring systems.
- Crystal lattice stabilization was attributed to two C-H⋯π intermolecular interactions.
Conclusions:
- The structural study provides a detailed understanding of the molecular architecture of this specific benzimidazoline derivative.
- The identified C-H⋯π interactions are crucial for the observed crystal packing and molecular assembly.
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