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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
(E)-Benzyl 3-(3-nitro-benzyl-idene)dithio-carbazate
Huan-Qiu Li1, Yin Luo, Xuan Qin
1State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, People's Republic of China.
The crystal structure of a novel compound, C(15)H(13)N(3)O(2)S(2), reveals a near-perpendicular arrangement of its aromatic rings. This arrangement is stabilized by specific hydrogen bonds within the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of molecules in crystals is crucial for predicting material properties.
- Hydrogen bonding plays a significant role in stabilizing crystal structures and influencing molecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(15)H(13)N(3)O(2)S(2).
- To analyze the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal structure included the measurement of dihedral angles and identification of hydrogen bond donors and acceptors.
Main Results:
- The crystal structure of C(15)H(13)N(3)O(2)S(2) was successfully determined.
- A significant dihedral angle of 87.8(2)° was observed between the two aromatic rings in the molecule.
- Inversion dimers were identified, linked by N-H⋯S hydrogen bonds, indicating specific intermolecular interactions.
Conclusions:
- The crystal packing of C(15)H(13)N(3)O(2)S(2) is characterized by a near-orthogonal orientation of its aromatic systems.
- The identified N-H⋯S hydrogen bonds are key stabilizing forces within the crystal structure, influencing the overall molecular arrangement.
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