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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-(4-Chloro-phen-yl)-2-methyl-benzamide
Summary
This study details the molecular structure of a specific benzamide compound. Crystal analysis reveals intermolecular hydrogen bonds forming chains, influencing its solid-state arrangement.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure Analysis
Background:
- Benzamide derivatives are crucial in medicinal chemistry and materials science.
- Understanding the precise molecular geometry and intermolecular interactions is key to predicting compound properties.
- Previous studies on related benzamides provide a basis for comparative analysis.
Purpose of the Study:
- To elucidate the detailed three-dimensional molecular structure of the title compound, C(14)H(12)ClNO.
- To analyze the conformation of the amide linkage and its orientation relative to the aromatic rings.
- To investigate the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Conformational analysis was performed using the determined dihedral angles.
- Analysis of intermolecular interactions, specifically hydrogen bonding, was conducted.
Main Results:
- The N-H and C=O bonds were found to be in a trans configuration.
- The C=O bond exhibited a syn orientation relative to the ortho-methyl group on the benzoyl ring.
- Dihedral angles indicated specific orientations between the amide linkage and the aromatic rings (36.9° and 46.4°), and between the rings themselves (83.1°).
- The crystal structure is characterized by molecules forming chains along the b-axis via N-H⋯O hydrogen bonds.
Conclusions:
- The study provides a precise structural characterization of the C(14)H(12)ClNO compound.
- The observed conformation and hydrogen bonding patterns are significant for understanding its solid-state behavior and potential applications.
- The findings contribute to the broader understanding of structure-property relationships in substituted benzamides.
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