4-Bromo-N,N'-bis-(4-methoxy-phen-yl)benzamidine

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Amidine compounds are versatile organic molecules with diverse applications.
• Understanding the solid-state structure of organic compounds is crucial for predicting their properties and reactivity.
• The presence of electron-donating methoxy groups and a bulky bromine atom suggests potential for unique electronic and steric effects.

Purpose of the Study:

• To elucidate the solid-state structure of the title amidine compound, C(21)H(19)BrN(2)O(2).
• To analyze the molecular geometry, including bond lengths and configurations.
• To investigate the intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

Main Results:

• The title compound, C(21)H(19)BrN(2)O(2), was synthesized and characterized.
• The solid-state structure revealed a non-centrosymmetric molecule with an E configuration around the C=N double bond.
• Distinct amine (1.3689(19) Å) and imine (1.285(2) Å) bond lengths were observed.
• Weak intermolecular interactions, including N-H⋯N, C-H⋯O, and C-H⋯π interactions, were identified in the crystal packing.

Conclusions:

• The crystal structure provides fundamental insights into the molecular architecture of this substituted amidine.
• The observed bond characteristics and intermolecular interactions are key to understanding the compound's solid-state behavior.
• This structural information serves as a basis for further investigations into the compound's chemical and physical properties.