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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
2-Chloro-N-(2,6-dichloro-phen-yl)benzamide
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of N26DCP2CBA, a chlorinated amide compound. Molecular analysis reveals specific bond conformations and hydrogen bonding patterns, contributing to understanding crystalline structures.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Amide compounds are prevalent in pharmaceuticals and materials science.
- Understanding the precise molecular geometry of chlorinated benzamides is crucial for predicting their properties.
- Previous studies have characterized related benzamide structures, providing a basis for comparison.
Purpose of the Study:
- To elucidate the detailed crystal structure and molecular conformation of N26DCP2CBA (C(13)H(8)Cl(3)NO).
- To compare the observed structural features with those of similar chlorinated benzamide derivatives.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and dihedral angles was performed.
- Identification and analysis of intermolecular hydrogen bonding networks were conducted.
Main Results:
- The crystal structure of N26DCP2CBA was successfully determined.
- Conformations of N-H and C=O bonds in the amide group were found to be trans, consistent with related compounds.
- The amide oxygen atom was observed syn to the ortho-chloro group.
- Dihedral angles indicated specific orientations between the amide group, benzoyl ring, and aniline ring.
- Infinite chains of molecules linked by N-H⋯O hydrogen bonds were identified along the b axis.
Conclusions:
- The crystal structure of N26DCP2CBA exhibits specific conformational preferences in its amide group and ring orientations.
- The observed structural features are comparable to other chlorinated benzamides, suggesting conserved structural motifs.
- The hydrogen bonding network plays a significant role in the self-assembly of N26DCP2CBA molecules in the solid state.
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