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Updated: May 27, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
2-Chloro-N-(3,4-dimethyl-phen-yl)benzamide
This study details the molecular structure of a chloro-methyl aniline derivative. Crystal analysis reveals specific bond orientations and intermolecular hydrogen bonding, forming chain-like structures in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their chemical behavior and physical properties.
- The specific conformation and intermolecular interactions of crystalline solids dictate macroscopic properties and reactivity.
Purpose of the Study:
- To elucidate the precise molecular conformation and crystal packing of the compound C(15)H(14)ClNO.
- To investigate the nature of intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of the crystal structure included assessing dihedral angles between aromatic rings and identifying hydrogen bonding networks.
Main Results:
- The study determined the anti-conformation of the N-H bond relative to the meta-methyl group and the C=O bond relative to the ortho-chloro group.
- A significant dihedral angle of 80.8(2)° was observed between the aniline and benzoyl ring planes.
- Intermolecular N-H⋯O hydrogen bonds were identified, leading to the formation of column-like chains along the b crystallographic axis.
Conclusions:
- The crystal structure of C(15)H(14)ClNO is characterized by specific conformational preferences and a distinct hydrogen bonding pattern.
- The observed chain-like supramolecular architecture is a direct consequence of the intermolecular hydrogen bonding network.
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