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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
4-Chloro-N-(3-methyl-phen-yl)benzamide
Acta Crystallographica. Section E, Structure Reports Online
|January 6, 2012
Summary
This study details the crystal structure of a chloro-aniline compound, highlighting the anti-positioning of its meta-methyl group. Molecular interactions reveal N-H⋯O hydrogen bonds forming chain-like structures in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the structure-property relationships of organic compounds is crucial for developing new materials.
- Aniline derivatives are important building blocks in various chemical industries.
- Crystal structure analysis provides fundamental insights into molecular packing and intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(12)ClNO.
- To investigate the spatial arrangement of substituents and their impact on molecular conformation.
- To identify and characterize the intermolecular interactions stabilizing 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 provided conformational details.
- Intermolecular interactions, specifically hydrogen bonding, were identified using crystallographic data.
Main Results:
- The crystal structure of C(14)H(12)ClNO was successfully determined.
- The meta-methyl group on the aniline ring was found to be positioned anti to the N-H bond.
- A dihedral angle of 12.4(1)° was observed between the aromatic rings.
- Inter-molecular N-H⋯O hydrogen bonds were identified, linking molecules into C(4) chains along the c-axis.
Conclusions:
- The specific arrangement of the meta-methyl group influences the overall molecular conformation.
- The crystal packing is predominantly governed by N-H⋯O hydrogen bonding, leading to a specific chain-like supramolecular architecture.
- This structural information contributes to the understanding of chloro-aniline derivatives and their solid-state behavior.
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