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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-(3-methyl-phen-yl)benzamide
Acta Crystallographica. Section E, Structure Reports Online
|March 14, 2012
Summary
This study details the crystal structure of a chlorinated and methylated benzanilide derivative. Molecular geometry and N-H⋯O hydrogen bonds stabilize the crystal, forming infinite chains.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides fundamental insights into intermolecular forces and solid-state behavior.
Purpose of the Study:
- To elucidate the detailed crystal structure of the compound C(14)H(12)ClNO.
- To analyze the spatial arrangement of substituents and the conformation of the amide linkage.
- To identify and characterize the intermolecular interactions stabilizing the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational information.
- Identification of hydrogen bonding patterns and their role in crystal packing.
Main Results:
- The ortho-chloro substituent on the benzoyl ring is syn to the carbonyl group.
- The meta-methyl group on the aniline ring is anti to the N-H bond.
- Dihedral angles reveal the relative orientation of the benzoyl and aniline rings (38.7°), with the amide group forming angles of 60.1° and 22.0° with the respective rings.
- N-H⋯O hydrogen bonds were identified as the primary stabilizing force, forming infinite chains along the c-axis.
Conclusions:
- The crystal structure of C(14)H(12)ClNO is characterized by specific substituent orientations and a non-planar amide linkage.
- Intermolecular N-H⋯O hydrogen bonding dictates the formation of one-dimensional chains, influencing the overall crystal packing and stability.
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