4-Bromo-N,N'-di-phenyl-benzimidamide N'-oxide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
• Hydrogen bonding and electron delocalization significantly influence molecular packing and reactivity.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C19H15BrN2O.
• To investigate the intermolecular interactions and electronic properties within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of bond lengths and angles provided insights into electronic delocalization.

Main Results:

• The title compound, C19H15BrN2O, crystallizes with two similar molecules in the asymmetric unit.
• The extended structure is characterized by dimers linked via N-H⋯O and C-H⋯O hydrogen bonds.
• Evidence of electron delocalization was observed in the HNCNO moiety, indicated by similar C-N bond distances.

Conclusions:

• The crystal structure of C19H15BrN2O has been successfully determined.
• The identified hydrogen bonding network plays a key role in the self-assembly of the crystal structure.
• The delocalization within the HNCNO moiety suggests potential electronic properties relevant to its chemical behavior.