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Updated: Jun 1, 2026
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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
4-(4-Nitro-benzene-sulfonamido)pyridinium bromide
Summary
This study details the crystal structure of a novel organic compound, revealing specific molecular angles and hydrogen bonding interactions. These findings contribute to understanding intermolecular forces in crystalline materials.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic compounds is crucial for predicting their properties.
- Hydrogen bonding plays a significant role in stabilizing crystal structures and influencing material characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(11)H(10)N(3)O(4)S(+)·Br(-).
- To analyze the molecular geometry, including dihedral angles between aromatic rings and functional groups.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic positions and unit cell parameters.
- Crystal structure analysis involved identifying bond lengths, bond angles, and dihedral angles.
- Intermolecular interactions were characterized by analyzing hydrogen bond donors and acceptors.
Main Results:
- The crystal structure revealed a distinct spatial arrangement between the benzene and pyridinium rings, with a dihedral angle of 88.4(2)°.
- The nitro group exhibited a dihedral angle of 16.5(2)° relative to the benzene ring.
- A three-dimensional network was formed through intermolecular N-H⋯Br and non-conventional C-H⋯Br and C-H⋯O hydrogen bonds.
Conclusions:
- The study successfully characterized the crystal structure of the title compound.
- The identified hydrogen bonding patterns provide insights into the supramolecular assembly and stability of the crystal.
- This structural information is valuable for the design and synthesis of related organic materials.
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