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Benzamide oxime.

Shu-Qing Xu¹, Jia-Ming Li

¹Laboratory of Beibu Gulf Marine Protection and Exploitation, Department of Chemistry and Biology, Qinzhou University, Qinzhou, Guangxi 535000, People's Republic of China.

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|January 5, 2011

Summary

This summary is machine-generated.

This study reveals the crystal structure of C(7)H(8)N(2)O, highlighting a 2D network formed by hydrogen bonds. The oxime group exhibits an E configuration, with specific dihedral angles noted between the benzene ring and amidoxime group.

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Area of Science:

Crystallography
Supramolecular Chemistry
Organic Chemistry

Background:

Understanding molecular interactions is crucial in crystal engineering.
Hydrogen bonding plays a key role in the self-assembly of organic molecules.
The specific arrangement of functional groups dictates supramolecular architecture.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(7)H(8)N(2)O.
To investigate the intermolecular interactions, specifically hydrogen bonding, present in the crystal lattice.
To characterize the stereochemistry and conformational aspects of the molecule within the solid state.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
Analysis of intermolecular contacts, including hydrogen bonds (N-H⋯O and O-H⋯N), was performed.
Geometric parameters, such as dihedral angles, were calculated.

Main Results:

The crystal structure of C(7)H(8)N(2)O was successfully determined.
Molecules self-assemble into a two-dimensional supramolecular structure via intermolecular N-H⋯O and O-H⋯N hydrogen bonds.
The oxime group was confirmed to have an E configuration, with a dihedral angle of 20.2(3)° between the benzene ring and the amidoxime plane.

Conclusions:

The hydrogen bonding network dictates the formation of a stable 2D supramolecular architecture.
The observed E configuration and dihedral angle provide insights into the molecule's preferred conformation in the solid state.
This structural information contributes to the broader understanding of organic crystal packing and design.