Benzamide oxime

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.