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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
N-(2,6-Dichloro-phen-yl)-4-methyl-benzamide
Acta Crystallographica. Section E, Structure Reports Online
|November 18, 2011
Summary
This study details the molecular structure of a dichlorinated amide compound, revealing nearly orthogonal aromatic rings and specific amide core planarity. Molecules form chains via intermolecular hydrogen bonds in the crystal structure.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides precise details on molecular conformation and intermolecular interactions.
Purpose of the Study:
- To elucidate the detailed molecular geometry and crystal packing of the title compound, C(14)H(11)Cl(2)NO.
- To investigate the conformational preferences of the aromatic rings and the amide core.
- To characterize the intermolecular interactions present in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and torsion angles provided conformational data.
- Identification and analysis of intermolecular interactions, such as hydrogen bonds.
Main Results:
- The crystal structure of C(14)H(11)Cl(2)NO was determined.
- A significant dihedral angle of 79.7° was observed between the two aromatic rings.
- The amide core exhibited near-coplanarity with the benzoyl ring, with specific torsion angles reported.
- Intermolecular N-H⋯O hydrogen bonds were identified, forming C(4) chains along the [001] direction.
Conclusions:
- The study provides precise structural data for the title compound.
- The observed conformation highlights specific steric and electronic influences on molecular geometry.
- The hydrogen bonding network dictates the supramolecular assembly in the crystal lattice.
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