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Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions

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(E)-N'-[1-(4-Bromo-phen-yl)ethyl-idene]benzohydrazide.

Hong-Yun Wang¹, Chuan-Gang Fan, Zhong-Nian Yang

¹College of Chemistry and Chemical Technology, Binzhou University, Binzhou 256600, Shandong, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a novel organic compound, C(15)H(13)BrN(2)O. Molecular analysis reveals distinct conformations and intermolecular hydrogen bonds influencing crystal packing.

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure

Background:

Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
Crystal structure analysis provides fundamental insights into molecular conformation and intermolecular interactions.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(15)H(13)BrN(2)O.
To characterize the conformational differences between independent molecules in the asymmetric unit.
To identify and describe the intermolecular interactions governing crystal packing.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the crystal structure.
The asymmetric unit was analyzed to identify independent molecules and their conformations.
Intermolecular interactions, specifically hydrogen bonds, were identified and characterized.

Main Results:

The asymmetric unit contains two independent molecules of C(15)H(13)BrN(2)O with differing conformations.
Dihedral angles of the aromatic rings were measured as 32.4(4)° and 27.5(4)° in the two molecules.
Intermolecular N-H⋯O hydrogen bonds were observed, forming chains along the [100] direction.

Conclusions:

The crystal structure of C(15)H(13)BrN(2)O exhibits conformational polymorphism within the asymmetric unit.
Hydrogen bonding plays a significant role in the self-assembly and crystal architecture of this compound.
Detailed structural information is provided for this specific brominated organic molecule.