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Updated: Jun 1, 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-(3,5-dimethyl-phen-yl)benzamide
This study details the molecular structure of C(15)H(14)ClNO, revealing specific bond orientations and dihedral angles. Molecules form infinite chains through N-H⋯O hydrogen bonds in the crystal structure.
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 chloro-substituted amides can influence their reactivity and solid-state characteristics.
Purpose of the Study:
- To elucidate the detailed molecular structure of the title compound, C(15)H(14)ClNO.
- To characterize the spatial arrangement of functional groups and analyze intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the precise atomic coordinates and bond parameters.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecule's conformation.
- Identification and analysis of intermolecular hydrogen bonding networks within the crystal structure.
Main Results:
- The N-H and C=O bonds were found to be in a trans configuration.
- The amide oxygen atom is oriented anti to the ortho-chlorine atom on the benzoyl ring.
- Significant dihedral angles of 61.2° (benzoyl ring) and 42.2° (aniline ring) were observed for the amide group.
- Molecules are organized into infinite chains via N-H⋯O hydrogen bonds in the crystalline state.
Conclusions:
- The study provides a precise structural description of C(15)H(14)ClNO, highlighting key conformational features.
- The identified hydrogen bonding network explains the observed crystal packing and suggests potential for intermolecular interactions in related compounds.
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