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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
1-Methyl-sulfon-yl-4-nitro-benzene
1College of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China.
Summary
The nitro group in the title compound is twisted out of the benzene ring plane. Molecules form dimers linked by hydrogen bonds, creating a specific structural motif.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Understanding molecular conformations is crucial in chemistry.
- Hydrogen bonding plays a key role in crystal engineering.
- Benzene ring derivatives are common in various chemical applications.
Purpose of the Study:
- To characterize the crystal structure of the title compound C(7)H(7)NO(4)S.
- To investigate the conformational details of the nitro group relative to the benzene ring.
- To identify and analyze 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 revealed the precise geometry and conformation of the molecule.
- Intermolecular interactions were identified and characterized using crystallographic data.
Main Results:
- The nitro group is significantly twisted (10.2(5)°) out of the benzene ring plane.
- Non-classical C-H⋯O hydrogen bonds were observed between inversion-related molecules.
- These hydrogen bonds link molecules into centrosymmetric dimers with an R(2)(2)(10) motif.
Conclusions:
- The study provides detailed structural insights into C(7)H(7)NO(4)S.
- The observed nitro group twist influences molecular packing and intermolecular interactions.
- The formation of R(2)(2)(10) dimers highlights the role of specific hydrogen bonding in crystal assembly.
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