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Updated: Jun 1, 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
N-(2,5-Dichloro-phen-yl)benzene-sulfonamide
Summary
This study details the molecular structure of a dichloroaniline derivative, revealing specific bond conformations and an intramolecular hydrogen bond. The crystal structure analysis shows molecules forming chains linked by intermolecular hydrogen bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Dichloroaniline derivatives are important intermediates in the synthesis of various chemical compounds.
Purpose of the Study:
- To elucidate the detailed molecular conformation and crystal packing of a specific dichloroaniline derivative.
- To investigate the presence and role of intramolecular and intermolecular hydrogen bonding.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, torsion angles, and intermolecular interactions was performed.
Main Results:
- The N-H bond exhibits a syn conformation relative to the 2-chloro group and anti to the 3-chloro group.
- A significant molecular bend at the sulfur atom was observed (C-SO(2)-NH-C torsion angle of 66.4°).
- An intramolecular N-H⋯Cl hydrogen bond and intermolecular N-H⋯O hydrogen bonds forming chains were identified.
Conclusions:
- The study provides a precise description of the molecular geometry and hydrogen bonding network in the solid state.
- The findings contribute to the understanding of structure-property relationships in substituted anilines.
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