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Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
Bis(benzothia-zol-2-ylmeth-yl)amine
Yong Zhang1, Bi-Lin Zhao, Shi-Lei Zhang
1School of Chemical and Materials Engineering, Huangshi Institute of Technology, Huangshi 435003, People's Republic of China.
Summary
This study details the crystal structure of a novel organic compound, highlighting molecular interactions. The findings reveal specific hydrogen bonds and pi-stacking that stabilize the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Benzothiazole derivatives are important in medicinal chemistry and materials science.
- Understanding the solid-state structure of organic compounds is crucial for predicting their properties.
- The specific compound C(16)H(13)N(3)S(2) was synthesized and characterized.
Purpose of the Study:
- To determine the crystal structure of the title compound C(16)H(13)N(3)S(2).
- To analyze the intermolecular interactions governing the crystal packing.
- To provide insights into the structure-property relationships of benzothiazole derivatives.
Main Methods:
- Single-crystal X-ray diffraction was employed to elucidate the molecular and crystal structure.
- The dihedral angle between the benzothiazole ring systems was measured.
- Intermolecular interactions, including hydrogen bonds and C-H⋯π stacking, were identified and analyzed.
Main Results:
- The crystal structure of C(16)H(13)N(3)S(2) was successfully determined.
- A dihedral angle of 20.41° was observed between the two benzothiazole ring systems.
- Molecules are linked into chains along the b axis via intermolecular N-H⋯N hydrogen bonds.
- Crystal packing is further stabilized by C-H⋯π stacking interactions.
Conclusions:
- The crystal structure of C(16)H(13)N(3)S(2) reveals a specific spatial arrangement of benzothiazole units.
- Intermolecular hydrogen bonding and C-H⋯π interactions are key factors in the observed crystal packing.
- This structural information is valuable for the design and synthesis of related organic materials.
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