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Updated: May 26, 2026
19:58
Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
Bis(1H-benzimidazol-1-yl)methane monohydrate.
Acta Crystallographica. Section E, Structure Reports Online
|January 6, 2012
Summary
The crystal structure of a novel organic compound, C(15)H(12)N(4)·H(2)O, was determined. This molecule features linked benzimidazole rings and forms chains via hydrogen bonds and π-π stacking interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Benzimidazole derivatives are known for diverse biological activities.
- Understanding the solid-state structure is crucial for material properties and drug design.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(15)H(12)N(4)·H(2)O.
- To investigate intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed.
- Structural characterization involved identifying hydrogen bonding and π-π stacking interactions.
Main Results:
- The organic molecule exhibits approximate twofold symmetry with a dihedral angle of 81.37° between benzimidazole rings.
- Crystal structure is stabilized by O-H⋯N hydrogen bonds forming [101] chains.
- Aromatic π-π stacking with a centroid-centroid separation of 3.595 Å further consolidates the structure.
Conclusions:
- The study provides detailed insights into the supramolecular assembly of the title compound.
- The identified hydrogen bonding and π-π stacking interactions are key to the crystal architecture.
- This structural information can guide the design of related functional materials.
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