(E)-1-(3,3'-Dimeth-oxy-4'-{[(E)-4-nitro-benzyl-idene]amino}-[1,1'-biphen-yl]-4-yl)-N-(4-nitro-phen-yl)methanimine

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the solid-state structure of organic compounds is crucial for predicting material properties.
• Non-planar molecular architectures often exhibit unique packing motifs and intermolecular interactions.
• The interplay of hydrogen bonding and pi-stacking influences crystal lattice formation.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C28H22N4O6.
• To identify and characterize the non-covalent interactions governing the supramolecular assembly.
• To understand the relationship between molecular structure and crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular contacts, including hydrogen bonds and pi-pi interactions, was performed.
• Computational tools were used to visualize and analyze the supramolecular framework.

Main Results:

• The title compound, C28H22N4O6, crystallizes with a half-molecule in the asymmetric unit, bisected by a twofold rotation axis.
• The molecule exhibits a non-planar overall geometry, featuring nearly planar anisole-imine and nitro-phenyl-methanimine fragments.
• Intermolecular C-H⋯O hydrogen bonds organize molecules into layers parallel to the (101) plane, further stabilized by offset π-π stacking and C-H⋯π interactions.

Conclusions:

• The crystal structure reveals a cohesive three-dimensional supramolecular framework driven by a network of non-covalent interactions.
• The observed packing arrangement highlights the importance of cooperative hydrogen bonding and pi-stacking in stabilizing the crystal lattice.
• This structural insight provides a foundation for designing related organic materials with tailored solid-state properties.