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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
2,6-Dichloro-N-(4-chloro-phen-yl)benzamide
Jing Zhu1, Ming Li, Hong-Xia Wei
1College of Science, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|March 14, 2012
Summary
This study details the crystal structure of a specific chlorinated compound, C(13)H(8)Cl(3)NO. Molecular analysis reveals a significant dihedral angle and intermolecular hydrogen bonding, influencing crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Crystal structure analysis provides fundamental insights into intermolecular interactions and solid-state behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(13)H(8)Cl(3)NO.
- To characterize the intermolecular interactions, including hydrogen bonding and π-π stacking, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Geometric parameters, including dihedral angles and bond lengths/angles, were analyzed.
Main Results:
- The dihedral angle between the benzene rings in the title compound was determined to be 63.2(2)°.
- N-H⋯O hydrogen bonds were observed, forming C(4) chains propagating along the [001] direction.
- Weak aromatic π-π stacking interactions were identified with centroid-centroid separations of 3.759(3) and 3.776(3) Å.
Conclusions:
- The crystal structure of C(13)H(8)Cl(3)NO is characterized by a notable dihedral angle between its aromatic rings.
- Intermolecular hydrogen bonding and π-π stacking significantly influence the molecule's packing in the solid state, dictating the formation of specific supramolecular architectures.
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