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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
N-(4-Chloro-phen-yl)-3-methyl-benzamide
This study details the molecular structure of C(14)H(12)ClNO, revealing specific bond conformations and dihedral angles. Molecules are linked into chains via intermolecular 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.
- Detailed structural analysis provides fundamental insights into intermolecular interactions and crystal packing.
Purpose of the Study:
- To elucidate the precise molecular conformation and crystal structure of the title compound, C(14)H(12)ClNO.
- To investigate the spatial relationships between functional groups and aromatic rings within the molecule.
- To characterize the intermolecular interactions responsible for crystal lattice formation.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational details.
- Identification and analysis of intermolecular interactions, such as hydrogen bonding, were performed.
Main Results:
- The study determined the anti conformation of the N-H and C=O bonds and a syn conformation of the C=O bond with the meta-methyl group.
- Dihedral angles revealed the relative orientation of the amido group with respect to the benzoyl and anilino rings (32.4(1)° and 36.1(1)°, respectively).
- A significant dihedral angle of 68.4(1)° was observed between the two benzene rings.
- Intermolecular N-H⋯O hydrogen bonds were identified, leading to the formation of molecular chains along the crystallographic a axis.
Conclusions:
- The detailed structural analysis of C(14)H(12)ClNO provides a comprehensive understanding of its molecular geometry and solid-state arrangement.
- The observed hydrogen bonding network dictates the crystal packing, influencing the compound's physical properties.
- This structural data serves as a foundation for further studies on structure-activity relationships or material properties.
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